Exact Mass: 267.0967
Exact Mass Matches: 267.0967
Found 500 metabolites which its exact mass value is equals to given mass value 267.0967,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Adenosine
Adenosine is a ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. It has a role as an anti-arrhythmia drug, a vasodilator agent, an analgesic, a human metabolite and a fundamental metabolite. It is a purines D-ribonucleoside and a member of adenosines. It is functionally related to an adenine. The structure of adenosine was first described in 1931, though the vasodilating effects were not described in literature until the 1940s. Adenosine is indicated as an adjunct to thallium-201 in myocardial perfusion scintigraphy, though it is rarely used in this indication, having largely been replaced by [dipyridamole] and [regadenson]. Adenosine is also indicated in the treatment of supraventricular tachycardia. Adenosine was granted FDA approval on 30 October 1989. Adenosine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Adenosine is an Adenosine Receptor Agonist. The mechanism of action of adenosine is as an Adenosine Receptor Agonist. Adenosine is a natural product found in Smilax bracteata, Mikania laevigata, and other organisms with data available. Adenosine is a ribonucleoside comprised of adenine bound to ribose, with vasodilatory, antiarrhythmic and analgesic activities. Phosphorylated forms of adenosine play roles in cellular energy transfer, signal transduction and the synthesis of RNA. Adenosine is a nucleoside that is composed of adenine and d-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. For instance, adenosine plays an important role in energy transfer - as adenosine triphosphate (ATP) and adenosine diphosphate (ADP). It also plays a role in signal transduction as cyclic adenosine monophosphate, cAMP. Adenosine itself is both a neurotransmitter and potent vasodilator. When administered intravenously, adenosine causes transient heart block in the AV node. Because of the effects of adenosine on AV node-dependent supraventricular tachycardia, adenosine is considered a class V antiarrhythmic agent. Adenosine is a metabolite found in or produced by Saccharomyces cerevisiae. A nucleoside that is composed of adenine and d-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. Adenosine itself is a neurotransmitter. See also: Adenosine; Niacinamide (component of); Adenosine; Glycerin (component of); Adenosine; ginsenosides (component of) ... View More ... Adenosine is a nucleoside that is composed of adenine and D-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. For instance, adenosine plays an important role in energy transfer as adenosine triphosphate (ATP) and adenosine diphosphate (ADP). It also plays a role in signal transduction as cyclic adenosine monophosphate (cAMP). Adenosine itself is both a neurotransmitter and potent vasodilator. When administered intravenously adenosine causes transient heart block in the AV node. Due to the effects of adenosine on AV node-dependent supraventricular tachycardia, adenosine is considered a class V antiarrhythmic agent. Overdoses of adenosine intake (as a drug) can lead to several side effects including chest pain, feeling faint, shortness of breath, and tingling of the senses. Serious side effects include a worsening dysrhythmia and low blood pressure. When present in sufficiently high levels, adenosine can act as an immunotoxin and a metabotoxin. An immunotoxin disrupts, limits the function, or destroys immune cells. A metabotoxin is an endogenous metabolite that causes adverse health effects at chronically high levels. Chronically high levels of adenosine are associated with adenosine deaminase deficiency. Adenosine is a precursor to deoxyadenosine, which is a precursor to dATP. A buildup of dATP in cells inhibits ribonucleotide reductase and prevents DNA synthesis, so cells are unable to divide. Since developing T cells and B cells are some of the most mitotically active cells, they are unable to divide and propagate to respond to immune challenges. High levels of deoxyadenosine also lead to an increase in S-adenosylhomocysteine, which is toxic to immature lymphocytes. Adenosine is a nucleoside composed of a molecule of adenine attached to a ribose sugar molecule (ribofuranose) moiety via a beta-N9-glycosidic bond. [Wikipedia]. Adenosine is found in many foods, some of which are borage, japanese persimmon, nuts, and barley. COVID info from PDB, Protein Data Bank, COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. Adenosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=58-61-7 (retrieved 2024-06-29) (CAS RN: 58-61-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2]. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2]. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2].
Deoxyguanosine
Deoxyguanosine, also known as dG, belongs to the class of organic compounds known as purine 2-deoxyribonucleosides. Purine 2-deoxyribonucleosides are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2‚Äô. Deoxyguanosine is a nucleoside consisting of the base guanine and the sugar deoxyribose. Deoxyguanosine is one of the four deoxyribonucleosides that make up DNA. Deoxyguanosine exists in all living species, ranging from bacteria to plants to humans. Deoxyguanosine participates in a number of enzymatic reactions. In particular, deoxyguanosine can be biosynthesized from 2-deoxyguanosine 5-monophosphate through the enzyme known as cytosolic purine 5-nucleotidase. In addition, deoxyguanosine can be converted into 2-deoxyguanosine 5-monophosphate (dGMP); which is mediated by the enzyme deoxyguanosine kinase. Deoxyguanosine is involved in the rare, inherited metabolic disorder called the purine nucleoside phosphorylase deficiency (PNP deficiency). In particular PNP deficiency is characterized by elevated levels of dGTP (deoxyguanosine triphosphate). PNP accounts for approximately 4\\\\% of patients with severe combined immunodeficiency (PMID: 1931007). PNP-deficient patients suffer from recurrent infections, usually beginning in the first year of life. Two thirds of patients have evidence of neurologic disorders with spasticity, developmental delay and mental retardation. Deoxyguanosine can be converted to 8-hydroxy-deoxyguanosine (8-OHdG) due to hydroxyl radical attack at the C8 of guanine. 8-hydroxy-deoxyguanosine is a sensitive marker of the DNA damage This damage, if left unrepaired, has been proposed to contribute to mutagenicity and cancer promotion. Isolated from plants, e.g. Phaseolus vulgaris (kidney bean) COVID info from COVID-19 Disease Map KEIO_ID D057; [MS2] KO008942 KEIO_ID D057 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-Deoxyguanosine (Deoxyguanosine) is a purine nucleoside with a variety of biological activities. 2’-Deoxyguanosine can induce DNA division in mouse thymus cells. 2’-Deoxyguanosine is a potent cell division inhibitor in plant cells[1][2][3]. 2'-Deoxyguanosine (Deoxyguanosine) is deoxyguanosine.
Sulfisoxazole
Sulfisoxazole is only found in individuals that have used or taken this drug. It is a short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms. [PubChem]Sulfisoxazole is a competitive inhibitor of the enzyme dihydropteroate synthetase. It inhibits bacterial synthesis of dihydrofolic acid by preventing the condensation of the pteridine with para-aminobenzoic acid (PABA), a substrate of the enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3072; ORIGINAL_PRECURSOR_SCAN_NO 3068 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6520; ORIGINAL_PRECURSOR_SCAN_NO 6519 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3077; ORIGINAL_PRECURSOR_SCAN_NO 3073 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6493; ORIGINAL_PRECURSOR_SCAN_NO 6491 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6549; ORIGINAL_PRECURSOR_SCAN_NO 6547 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3096; ORIGINAL_PRECURSOR_SCAN_NO 3094 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3126; ORIGINAL_PRECURSOR_SCAN_NO 3125 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6542; ORIGINAL_PRECURSOR_SCAN_NO 6539 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6522; ORIGINAL_PRECURSOR_SCAN_NO 6521 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6555; ORIGINAL_PRECURSOR_SCAN_NO 6553 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3083; ORIGINAL_PRECURSOR_SCAN_NO 3080 CONFIDENCE standard compound; INTERNAL_ID 636; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3067; ORIGINAL_PRECURSOR_SCAN_NO 3065 J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1013 Sulfisoxazole (Sulfafurazole) is an orally active endothelin receptor antagonist with IC50 values of 0.60 μM and 22 μM against endothelin receptor A and endothelin receptor B, respectively. Sulfisoxazole is a sulfonamide antibacterial agent with an oxazole substituent. Sulfisoxazole inhibits breast cancer exosome release by targeting endothelin receptor A[1][2].
OXYCARBOXIN
A substituted aniline that is aniline in which one of the hydrogens attached to the nitrogen atom by a (2-methyl-4,4-dioxido-5,6-dihydro-1,4-oxathiin-3-yl)carbonyl group. CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7124; ORIGINAL_PRECURSOR_SCAN_NO 7121 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3210; ORIGINAL_PRECURSOR_SCAN_NO 3208 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3197; ORIGINAL_PRECURSOR_SCAN_NO 3195 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7114 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3208; ORIGINAL_PRECURSOR_SCAN_NO 3207 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7096; ORIGINAL_PRECURSOR_SCAN_NO 7091 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3211; ORIGINAL_PRECURSOR_SCAN_NO 3209 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3204; ORIGINAL_PRECURSOR_SCAN_NO 3202 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3196; ORIGINAL_PRECURSOR_SCAN_NO 3194 CONFIDENCE standard compound; INTERNAL_ID 1027; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7129; ORIGINAL_PRECURSOR_SCAN_NO 7127
Zidovudine
A dideoxynucleoside compound in which the 3-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia. [PubChem] J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Zidovudine is a nucleoside reverse transcriptase inhibitor (NRTI), widely used to treat HIV infection. Zidovudine increases CRISPR/Cas9-mediated editing frequency.
L-Agaritine
L-Agaritine is found in mushrooms. L-Agaritine is a constituent of some members of the family Agaricaceae, notably Agaricus bisporus (button mushroom). Constituent of some members of the family Agaricaceae, notably Agaricus bisporus (button mushroom). L-Agaritine is found in mushrooms.
S-Ribosylhomocysteine
S-(5-deoxy-beta-D-ribos-5-yl)-L-homocysteine is an S-(5-deoxy-D-ribos-5-yl)-L-homocysteine in which the anomeric centre has beta-configuration. It has a role as an Escherichia coli metabolite. It is functionally related to a L-homocysteine.
Neuraminic acid
Neuraminic acids are the commonest sialic acids in nature. Most sialic acids on gangliosides share a core neuraminic acid (Neu) structure and are N-acylated at the C-5 position with either an N-acetyl or an N-glycolyl group (giving Neu5Ac or Neu5Gc, respectively). It was originally thought that unsubstituted glycosidically linked Neu did not occur in nature. However, there have been several reports suggesting its presence in gangliosides and more recently in mucin-type glycoproteins. The N- or O-substituted derivatives of neuraminic acid are collectively known as sialic acids, the predominant one being N-acetylneuraminic acid. The amino group bears either an acetyl or a glycolyl group. The hydroxyl substituents may vary considerably: acetyl, lactyl, methyl, sulfate and phosphate groups have been found. Sialic acids are found widely distributed in animal tissues. Sialic acid rich glycoproteins bind selectin in humans and other organisms. Cancer cells that can metastasize often have a lot of sialic acid rich glycoproteins. This helps these late stage cancer cells enter the blood stream. (PMID: 11884388) [HMDB] Neuraminic acids are the commonest sialic acids in nature. Most sialic acids on gangliosides share a core neuraminic acid (Neu) structure and are N-acylated at the C-5 position with either an N-acetyl or an N-glycolyl group (giving Neu5Ac or Neu5Gc, respectively). It was originally thought that unsubstituted glycosidically linked Neu did not occur in nature. However, there have been several reports suggesting its presence in gangliosides and more recently in mucin-type glycoproteins. The N- or O-substituted derivatives of neuraminic acid are collectively known as sialic acids, the predominant one being N-acetylneuraminic acid. The amino group bears either an acetyl or a glycolyl group. The hydroxyl substituents may vary considerably: acetyl, lactyl, methyl, sulfate and phosphate groups have been found. Sialic acids are found widely distributed in animal tissues. Sialic acid rich glycoproteins bind selectin in humans and other organisms. Cancer cells that can metastasize often have a lot of sialic acid rich glycoproteins. This helps these late stage cancer cells enter the blood stream. (PMID: 11884388).
Prinomide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Chlornaphazine
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine
This compound It is a byproduct of 6-pyruvoyltetrahydropterin synthase (EC 4.2.3.12), and associated with 6-Pyruvoyltetrahydropterin synthase deficiency (an autosomal recessive disorder that causes malignant hyperphenylalaninemia due to tetrahydrobiopterin deficiency). (Wikipedia). This compound It is a byproduct of 6-pyruvoyltetrahydropterin synthase (EC 4.2.3.12), and associated with 6-Pyruvoyltetrahydropterin synthase deficiency (an autosomal recessive disorder that causes malignant hyperphenylalaninemia due to tetrahydrobiopterin deficiency). [HMDB]
Voglibose
Voglibose is only found in individuals that have used or taken this drug. Voglibose (INN and USAN) is an alpha-glucosidase inhibitor used for lowering post-prandial blood glucose levels in people with diabetes mellitus. It is made in India by Ranbaxy Labs and sold under the trade name Volix. [Wikipedia]Alpha-glucosidase inhibitors are saccharides that act as competitive inhibitors of enzymes needed to digest carbohydrates: specifically alpha-glucosidase enzymes in the brush border of the small intestines. The membrane-bound intestinal alpha-glucosidases hydrolyze oligosaccharides, trisaccharides, and disaccharides to glucose and other monosaccharides in the small intestine. Acarbose also blocks pancreatic alpha-amylase in addition to inhibiting membrane-bound alpha-glucosidases. Pancreatic alpha-amylase hydrolyzes complex starches to oligosaccharides in the lumen of the small intestine. Inhibition of these enzyme systems reduces the rate of digestion of complex carbohydrates. Less glucose is absorbed because the carbohydrates are not broken down into glucose molecules. In diabetic patients, the short-term effect of these drugs therapies is to decrease current blood glucose levels: the long term effect is a small reduction in hemoglobin-A1c level. (From Drug Therapy in Nursing, 2nd ed) Voglibose is an organic molecular entity. Voglibose is an alpha-glucosidase inhibitor used for lowering post-prandial blood glucose levels in people with diabetes mellitus. It is made in India by Ranbaxy Labs and sold under the trade name Volix. Voglibose is a valiolamine derivative and inhibitor of alpha-glucosidase with antihyperglycemic activity. Voglibose binds to and inhibits alpha-glucosidase, an enteric enzyme found in the brush border of the small intestines that hydrolyzes oligosaccharides and disaccharides into glucose and other monosaccharides. This prevents the breakdown of larger carbohydrates into glucose and decreases the rise in postprandial blood glucose levels. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BF - Alpha glucosidase inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor D004791 - Enzyme Inhibitors Voglibose is a derivative of valiolamine, which can inhibit α-glucosidase very well and can act on hyperglycemia.
Apomorphine
A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. [PubChem] G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D005765 - Gastrointestinal Agents > D004639 - Emetics D002491 - Central Nervous System Agents
Sulfamoxole
Sulfamoxole is only found in individuals that have used or taken this drug. It is a sulfonamide antibacterial. Sulfamoxole is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. This enzyme is needed for the proper processing of para-aminobenzoic acid (PABA) which is essential for folic acid synthesis. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Vidarabine
A nucleoside antibiotic isolated from Streptomyces antibioticus. It has some antineoplastic properties and has broad spectrum activity against DNA viruses in cell cultures and significant antiviral activity against infections caused by a variety of viruses such as the herpes viruses, the vaccinia VIRUS and varicella zoster virus. [PubChem] J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Vidarabine (Ara-A) an antiviral agent which is active against herpes simplex and varicella zoster viruses[1][2]. Vidarabine has IC50s of 9.3 μg/ml for HSV-1 and 11.3 μg/ml for HSV-2[2]. Vidarabine also has anti-orthopoxvirus activity[3]. Vidarabine (Ara-A) an antiviral agent which is active against herpes simplex and varicella zoster viruses[1][2]. Vidarabine has IC50s of 9.3 μg/ml for HSV-1 and 11.3 μg/ml for HSV-2[2]. Vidarabine also has anti-orthopoxvirus activity[3]. Vidarabine (Ara-A) an antiviral agent which is active against herpes simplex and varicella zoster viruses[1][2]. Vidarabine has IC50s of 9.3 μg/ml for HSV-1 and 11.3 μg/ml for HSV-2[2]. Vidarabine also has anti-orthopoxvirus activity[3].
N-(1-Deoxy-1-fructosyl)serine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)serine is classified as a Natural Food Constituent (code WA) in the DFC.
4-amino-MX
4-amino-MX (AMX) is a metabolite of musk xylene. Musk xylene was the most widely used of the nitro-musks, a type of synthetic musk fragrance, which mimic natural musk. It has been used as a perfume fixative in a wide variety of consumer products, and is still used in some cosmetics and fragrances. Use of musk xylene has declined sharply since the mid-1980s due to safety and environmental concerns. (Wikipedia)
2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors PD98059 is a potent and selective MEK inhibitor with an IC50 of 5 μM. PD98059 binds to the inactive form of MEK, thereby preventing the activation of MEK1 (IC50 of 2-7 μM) and MEK2 (IC50 of 50 μM) by upstream kinases. PD98059 is a ERK1/2 signaling inhibitor. PD98059 is a ligand for the aryl hydrocarbon receptor (AHR), and suppresses TCDD binding (IC50 of 4 μM) and AHR transformation (IC50 of 1 μM). PD98059 also inhibits Mycobacterium bovis Bacillus CalmetteGuerin (BCG)-induced autophagy[1][2][3].
3'-Azido-3'-deoxythymidine, 98\%
8-Oxo-2'-deoxyadenosine
(S)-2-Amino-5-((4-nitrophenyl)amino)-5-oxopentanoic acid
3'-C-Ethynylcytidine
S-(+)-apomorphine
3-[(2-Benzyl-3-sulfanylpropanoyl)amino]propanoic acid
Asimilobine
Asimilobine is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Asimilobine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Asimilobine can be found in cherimoya and custard apple, which makes asimilobine a potential biomarker for the consumption of these food products. Asimilobine is an inhibitor of dopamine biosynthesis, and a serotonergic receptor antagonist .
cinnamoyltyramine
Cinnamoyltyramine is a member of the class of compounds known as cinnamic acid amides. Cinnamic acid amides are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Cinnamoyltyramine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cinnamoyltyramine can be found in a number of food items such as babassu palm, savoy cabbage, dill, and quinoa, which makes cinnamoyltyramine a potential biomarker for the consumption of these food products.
methyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate
Asimilobine
R-(-)-asimilobine is an aporphine alkaloid. It has a role as a metabolite. Asimilobine is a natural product found in Meiogyne monosperma, Phoebe formosana, and other organisms with data available. A natural product found in Annona glabra.
N-(2-phenylethyl)-4-hydroxycinnamamide|p-coumaroyl-beta-phenethylamine
2-acetyl-4-<2-(methoxycarbonyl)ethyl>-3-<(methoxycarbonyl)methyl>pyrrole|3-(5-acetyl-4-methoxycarbonylmethyl-1H-pyrrol-3-yl)-propionic acid methyl ester|monascuspyrrole
7-amino-8-hydroxy-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one|7-Amino-8-hydroxy-nitrazepam
2,3-Epoxy-6,8-nonadiynoic acid phenethylamide|2-phenylethylamide-2,3-Epoxy-6,8-nonadiynoic acid|epoxy-nona-6,8-diynoic acid 2-phenylethylamide|nona-6,8-diyn-2,3-epoxy-1-oic acid phenylethylamine
(S)-N-trans-cinnamoyl-beta-hydroxy phenylethylamine
L-erythro-N-benzoyl-3-hydroxy-glutamic acid|L-erythro-N-Benzoyl-3-hydroxy-glutaminsaeure
10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Based on the structure of 10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol, we can speculate about its possible biological functions: Antioxidant Properties: The presence of hydroxyl (-OH) and methoxy (-OCH3) groups suggests that the compound might have antioxidant properties, capable of scavenging free radicals and protecting cells from oxidative stress. Anti-inflammatory Effects: Compounds with similar structures have been known to exhibit anti-inflammatory effects by inhibiting certain enzymes or pathways involved in the inflammatory response. Neuroprotective Activity: Given its structural similarity to certain alkaloids, it might have neuroprotective properties, potentially protecting neurons from damage caused by various neurotoxic agents. Antimicrobial Activity: The complex structure of the compound suggests that it might have antimicrobial properties, inhibiting the growth of certain bacteria or fungi. Central Nervous System (CNS) Activity: Compounds with similar structural features have been reported to have effects on the central nervous system, possibly acting as sedatives, anxiolytics, or antidepressants. Enzyme Inhibition: The compound might act as an inhibitor for certain enzymes, which could be relevant in various therapeutic contexts, such as cancer treatment or metabolic disorders. Ion Channel Modulation: It could potentially modulate ion channels, affecting cellular electrical activity, which could be relevant in conditions like epilepsy or cardiac arrhythmias.
3-(2-amino-4,6-dioxo-3,4,5,6-tetrahydro-pteridin-7-yl)-2-hydroxy-propionic acid|Ekapterin
2-Amino-9-((2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
sulfamoxol
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides A sulfonamide-based antibacterial agent where 4-aminobenzenesulfonic acid and 4,5-dimethyl-1,3-oxazol-2-amine have combined to form the sulfonamide bond. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 8; HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE standard compound; INTERNAL_ID 1019
Zidovudine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3287 Zidovudine is a nucleoside reverse transcriptase inhibitor (NRTI), widely used to treat HIV infection. Zidovudine increases CRISPR/Cas9-mediated editing frequency.
Apomorphine
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BE - Drugs used in erectile dysfunction N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D005765 - Gastrointestinal Agents > D004639 - Emetics D002491 - Central Nervous System Agents CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2773; ORIGINAL_PRECURSOR_SCAN_NO 2770 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2742; ORIGINAL_PRECURSOR_SCAN_NO 2740 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2770; ORIGINAL_PRECURSOR_SCAN_NO 2767 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2761; ORIGINAL_PRECURSOR_SCAN_NO 2760 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2765; ORIGINAL_PRECURSOR_SCAN_NO 2764 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2768; ORIGINAL_PRECURSOR_SCAN_NO 2767 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5817; ORIGINAL_PRECURSOR_SCAN_NO 5813 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5827; ORIGINAL_PRECURSOR_SCAN_NO 5825 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5853; ORIGINAL_PRECURSOR_SCAN_NO 5851 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5859; ORIGINAL_PRECURSOR_SCAN_NO 5857 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5863; ORIGINAL_PRECURSOR_SCAN_NO 5861 CONFIDENCE standard compound; INTERNAL_ID 796; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5858; ORIGINAL_PRECURSOR_SCAN_NO 5856 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2542; CONFIDENCE confident structure
Adenosine
COVID info from PDB, Protein Data Bank, COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C - Cardiovascular system > C01 - Cardiac therapy Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Formula(Parent): C10H13N5O4; Bottle Name:Adenosine; PRIME Parent Name:Adenosine; PRIME in-house No.:0040 R0018, Purines MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OIRDTQYFTABQOQ_STSL_0143_Adenosine_0500fmol_180430_S2_LC02_MS02_33; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.113 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.109 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.097 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.096 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2621; CONFIDENCE confident structure Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2]. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2]. Adenosine (Adenine riboside), a ubiquitous endogenous autacoid, acts through the enrollment of four G protein-coupled receptors: A1, A2A, A2B, and A3. Adenosine affects almost all aspects of cellular physiology, including neuronal activity, vascular function, platelet aggregation, and blood cell regulation[1][2].
Rhamnopterin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.055 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054
sulfisoxazole
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides Sulfisoxazole (Sulfafurazole) is an orally active endothelin receptor antagonist with IC50 values of 0.60 μM and 22 μM against endothelin receptor A and endothelin receptor B, respectively. Sulfisoxazole is a sulfonamide antibacterial agent with an oxazole substituent. Sulfisoxazole inhibits breast cancer exosome release by targeting endothelin receptor A[1][2].
6,7-Dimethoxy-1-phenyl-3,4-dihydro-isoquinoline
2-Deoxyguanosine
A purine 2-deoxyribonucleoside having guanine as the nucleobase. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2’-Deoxyguanosine (Deoxyguanosine) is a purine nucleoside with a variety of biological activities. 2’-Deoxyguanosine can induce DNA division in mouse thymus cells. 2’-Deoxyguanosine is a potent cell division inhibitor in plant cells[1][2][3]. 2'-Deoxyguanosine (Deoxyguanosine) is deoxyguanosine.
Deoxyguanosine
2’-Deoxyguanosine (Deoxyguanosine) is a purine nucleoside with a variety of biological activities. 2’-Deoxyguanosine can induce DNA division in mouse thymus cells. 2’-Deoxyguanosine is a potent cell division inhibitor in plant cells[1][2][3]. 2'-Deoxyguanosine (Deoxyguanosine) is deoxyguanosine.
N2-(4-Nitrophenyl)-L-glutamine
CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2776; ORIGINAL_PRECURSOR_SCAN_NO 2775 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2670; ORIGINAL_PRECURSOR_SCAN_NO 2668 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2770; ORIGINAL_PRECURSOR_SCAN_NO 2767 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2698; ORIGINAL_PRECURSOR_SCAN_NO 2695 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2719; ORIGINAL_PRECURSOR_SCAN_NO 2717 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2769; ORIGINAL_PRECURSOR_SCAN_NO 2768 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5877; ORIGINAL_PRECURSOR_SCAN_NO 5874 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5889; ORIGINAL_PRECURSOR_SCAN_NO 5886 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5895; ORIGINAL_PRECURSOR_SCAN_NO 5893 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5903; ORIGINAL_PRECURSOR_SCAN_NO 5901 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5926; ORIGINAL_PRECURSOR_SCAN_NO 5924 CONFIDENCE standard compound; INTERNAL_ID 389; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5926; ORIGINAL_PRECURSOR_SCAN_NO 5925
(R)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
Vidarabine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AD - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Vidarabine (Ara-A) an antiviral agent which is active against herpes simplex and varicella zoster viruses[1][2]. Vidarabine has IC50s of 9.3 μg/ml for HSV-1 and 11.3 μg/ml for HSV-2[2]. Vidarabine also has anti-orthopoxvirus activity[3]. Vidarabine (Ara-A) an antiviral agent which is active against herpes simplex and varicella zoster viruses[1][2]. Vidarabine has IC50s of 9.3 μg/ml for HSV-1 and 11.3 μg/ml for HSV-2[2]. Vidarabine also has anti-orthopoxvirus activity[3]. Vidarabine (Ara-A) an antiviral agent which is active against herpes simplex and varicella zoster viruses[1][2]. Vidarabine has IC50s of 9.3 μg/ml for HSV-1 and 11.3 μg/ml for HSV-2[2]. Vidarabine also has anti-orthopoxvirus activity[3].
3-Deoxyguanosine
3′-Deoxyguanosine (Guanosine, 3'-deoxy-) is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
2-Amino-4-oxo-6-(1,2-dioxoprolyl)-7,8-dihydroxypteridine
PD 98059
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors PD98059 is a potent and selective MEK inhibitor with an IC50 of 5 μM. PD98059 binds to the inactive form of MEK, thereby preventing the activation of MEK1 (IC50 of 2-7 μM) and MEK2 (IC50 of 50 μM) by upstream kinases. PD98059 is a ERK1/2 signaling inhibitor. PD98059 is a ligand for the aryl hydrocarbon receptor (AHR), and suppresses TCDD binding (IC50 of 4 μM) and AHR transformation (IC50 of 1 μM). PD98059 also inhibits Mycobacterium bovis Bacillus CalmetteGuerin (BCG)-induced autophagy[1][2][3].
Voglibose
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BF - Alpha glucosidase inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor D004791 - Enzyme Inhibitors Voglibose is a derivative of valiolamine, which can inhibit α-glucosidase very well and can act on hyperglycemia.
N-(2-Methylphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
9-ALPHA-RIBOFURANOSYLADENINE
Alpha-Adenosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
3,3a,4,5,6,7-hexahydro-3-hydroxy-2-thiocarbamoyl-3-trifluoromethyl-2h-indazole
3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide
3-(3-nitrophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
2,5-DIMETHYL-1-(2-(TRIFLUOROMETHYL)PHENYL)-1H-PYRROLE-3-CARBALDEHYDE
2-Benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
3-(5-fluoro-3-hydroxy-2-methylpentanoyl)-1,3-benzoxazol-2-one
3-(4-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
6-(Dimethylamino)-4-hydroxy-2-naphthalenesulfonic acid
Dexfenfluramine hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
8-methyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
1-benzo[b][1]benzothiepin-5-yl-N,N-dimethylmethanamine
1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline
3-(4-AMINO-PIPERIDIN-1-YL)-1-(6-CHLORO-PYRIDIN-3-YL)-PROPAN-1-ONE
1-(4-Chlorophenyl)-2-methyl-2-morpholinopropan-1-one
4-(2-fluorophenoxy)pyridine-2-carboximidamide,hydrochloride
4-(4-fluorophenoxy)pyridine-2-carboximidamide,hydrochloride
4-(3-fluorophenoxy)pyridine-2-carboximidamide,hydrochloride
benzyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
2-(4-NITROPHENYL)IMIDAZO[1,2-A]PYRIDINE-3-CARBOXALDEHYDE
5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
2-(2-AMINOPHENYL)-5-(3-METHOXYPHENYL)-1,3,4-OXADIAZOLE
4-(4-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
1-ETHYL-2,3,3-TRIMETHYL-3H-INDOL-1-IUM-5-SULFONATE
5,7-Dihydro-2-(methylthio)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester
(3R)-3-Benzyl-7a-(difluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one
Urea, N-[4-(methylthio)phenyl]-N-4-morpholinyl- (9CI)
(2-HYDROXY-[1,1-BIPHENYL]-3-YL)(PYRROLIDIN-1-YL)METHANONE
2-METHYL-2-(4-((PHENYLTHIO)METHYL)PHENYL)PROPANENITRILE
ethyl 5-amino-1-(2,5-difluorophenyl)pyrazole-4-carboxylate
4-CHLORO-9-METHYL-1,2,3,4-TETRAHYDROACRIDINE HYDROCHLORIDE
4-[4-(chloromethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
4-METHOXY-2-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-4-AMINE
ethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
(3S,4S)-3,4-BIS[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]-1-(PHENYLMETHYL)-PYRROLIDINE
tert-butyl 3-(3-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
2-[carboxymethyl(phenylmethoxycarbonyl)amino]acetic acid
2,3-DIHYDROSPIRO[INDENE-1,4-PIPERIDINE]-3-CARBOXYLIC ACID HYDROCHLORIDE
(2E)-3-[4-(Dimethylamino)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
(4-CHLORO-3-(PIPERIDINE-1-CARBONYL)PHENYL)BORONIC ACID
3-CHLORO-4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
(3-CHLORO-4-(CYCLOPENTYLCARBAMOYL)PHENYL)BORONIC ACID
(3-Chloro-5-(piperidine-1-carbonyl)phenyl)boronic acid
BENZYL (3R)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLATE
6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
1-(4-CHLOROBENZYL)-1H-PYRAZOL-5-AMINEHYDROCHLORIDE
TERT-BUTYL 2-FORMYL-4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-6(7H)-CARBOXYLATE
2-[(2-METHYLBENZOYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID
TERT-BUTYL 5-(ETHOXYCARBONYL)PYRAZIN-2-YLCARBAMATE
3-BENZYL-1-CYCLOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE
2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIMIDINE-3-CARBALDEHYDE
Dihydrexidine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
5-(4-Methyl-[1,1-biphenyl]-4-yl)-1,3,4-thiadiazol-2-amine
4-[(3,5-Dimethyl-4-isoxazolyl)methoxy]-2,6-difluorobenzenemethanol
2-[(3-METHYLBENZOYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID
3-amino-1-cyclopropyl-6,7-difluoro-8-methylquinazoline-2,4-dione
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(acetylamino)-, ethyl ester
formycin A
D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D005573 - Formycins
Propenidazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
TERT-BUTYL 2-FORMYL-6,7-DIHYDROTHIENO[3,2-C]PYRIDINE-5(4H)-CARBOXYLATE
2-chloro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
8-oxo-7-phenylpyrido[2,3-d]pyridazine-5-carboxylic acid
fenfluramine hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29728 - Anorexiant D049990 - Membrane Transport Modulators
tert-butyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
4-(3,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
4-(4-NITRO-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
1-[(2-fluorophenyl)methyl]-2-methylindole-3-carbaldehyde
Methyl 5-(2-(methylamino)phenyl)-1H-pyrazole-3-carboxylate hydrochloride
dimethyl 2-(4-methoxycarbonylpyridin-3-yl)propanedioate
4-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazole
(4S,5R)-2,4-Diphenyl-4,5-dihydrooxazole-5-carboxylic acid
4-(2,4-DIFLUOROPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
(2R)-2-[(Methoxycarbonyl)amino]-4-(4-methoxyphenyl)butanoic acid
2-Benzyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
(R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOETHYL]-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL]-N-(3-METHYLPHENYL)-UREA
Rasagiline mesylate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D020011 - Protective Agents
2-(4-CHLOROPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE
4-(2-Benzamido-3-(dipropylamino)-3-oxopropyl)phenyl benzoate
5-(3-Chlorophenyl)-4-isobutyl-4H-1,2,4-triazole-3-thiol
7-trifluoromethoxy-2,3,4,5-tetrahydro-1h-benzo[b]azepine hydrochloride
2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-fluoro-2-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLICACID BENZYL ESTER HYDROCHLORIDE
Carbamic acid,(3-pyridinylmethylene)bis-, diethyl ester (9CI)
(2R,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate
3-ACETYL-2,7-DIMETHYL-5H-CHROMENO[2,3-B]PYRIDIN-5-ONE
3-(TRIFLUOROMETHYL)-N-(2,2-DIMETHOXYETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
L-Adenosine
L-Adenosine is a metabolically stable enantiomeric analog and also is a potential probe. L-Adenosine has weakly inhibitory adenosine deaminase (ADA) activity with an Ki value of 385 μM. L-Adenosine can be used for the research of adenosine uptake and accumulation[1].
4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
ethyl 4-acetyl-5-(acetyloxymethyl)-3-methyl-1H-pyrrole-2-carboxylate
2-(2-HYDROXYETHYL)-3-METHYL-1-OXO-1,5-DIHYDROPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE
4-HYDROXYBENZO[H]QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
7-Boc-5,6-dihydro-8H-imidazo[1,2-a]pyrazine-2-carboxylic acid
4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate
Benzooxazol-2-yl-Methyl-piperidin-3-yl-aMine hydrochloride
2-(alpha-D-Mannopyranosylthio)ethanimidic acid methyl ester
2-FURAN-2-YL-6,8-DIMETHYL-QUINOLINE-4-CARBOXYLIC ACID
4-([(2-FURYLMETHYL)AMINO]METHYL)BENZOIC ACID HYDROCHLORIDE
Morpholine,2-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
Sulfatroxazole
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
3-ETHOXYCARBONYLAMINO-3-(4-METHOXY-PHENYL)-PROPIONIC ACID
2-(2-fluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-(2-ethyl-4-hydroxy-1,1-dioxo-1λ6,2-benzothiazin-3-yl)ethanone
2-AMINO-9-((2R,4S,5S)-4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-3H-PURIN-6(9H)-ONE
5-(Tert-Butoxycarbonyl)-4,5,6,7-Tetrahydro-1H-Pyrazolo[4,3-C]Pyridine-3-Carboxylic Acid
L(+)-2-AMINO-6-(O,O-DIETHYLPHOSPHONO)HEXANOIC ACID
ETHYL 4-CHLORO-5-ISOPROPYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
3-[2-(trifluoromethyl)phenoxy]pyrrolidine,hydrochloride
DIETHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)AMINO]METHYLENE)MALONATE
3-C-Ethynylcytidine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite Ethynylcytidine (ECyD), a nucleoside analog and a potent inhibitor of RNA synthesis, inhibits RNA polymerases I, II and II. Ethynylcytidine has robust antitumor activity in a wide range of models of cancer[1][2][3]. Ethynylcytidine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
9-beta-D-Xylofuranosyladenine
9-(β-D-Xylofuranosyl)adenine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
3-[(2-Benzyl-3-sulfanylpropanoyl)amino]propanoic acid
D004791 - Enzyme Inhibitors
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
Benzyl alcohol, o-chloro-alpha-((isopropylamino)methyl)-, hydrochloride, monohydrate
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Methyl 2-(chloroacetyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
4-hexyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
N-(2-phenyl-3-imidazo[1,2-a]pyridinyl)carbamic acid methyl ester
beta-Chloro-alpha-phenylbenzeneethanamine hydrochloride
4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
(2E)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(pyridin-4-yl)propanal
(S)-2-Amino-4-[(2S,3R)-2,3,5-trihydroxy-4-oxo-pentyl]mercapto-butyric acid
1(R)-1-Acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid
Methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate
2-amino-6-[(1S,2S,3S)-1,2,3-trihydroxybutyl]-3H-pteridin-4-one
3-deoxy-D-glycero-beta-D-galacto-nonulosonate
A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid
2-(alpha-D-mannosyl)-D-glycerate
Conjugate base of 2-(alpha-D-mannosyl)-D-glyceric acid
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylazanium
(2S)-2-azaniumyl-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoate
5-(4-Hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolane-3-carboxylate
(2S,4S,5R,6R)-5-amino-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-3-(4-methylphenyl)-1,2-oxazol-5-one
Formononetin(1-)
A flavonoid oxoanion that is the conjugate base of formononetin, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-butyl-3-(5-ethyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
(2R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine
(4S,5R,6R,7S,8R)-5-amino-4,6,7,8,9-pentahydroxy-2-oxononanoic acid
(2E,3E)-4-[4-(benzyloxy)phenyl]-N-hydroxybut-3-en-2-imine
5-hydroxy-8-methoxy-4-phenylisoquinolin-1(2H)-one
An isoquinolinol that is 5-hydroxyisoquinolin-1(2H)-one which has been substituted at positions 4 and 8 by phenyl and methoxy groups, respectively. Isolated from the fermentation of an endophytic fungus Penicillium sp. R22 in Nerium indicum. It displayed weak antibacterial activity.
2-Methyl-5-(3-thiophenyl)-3,5-dihydropyrazolo[1,5-c]quinazoline
5,7-dimethyl-3-phenyldiazenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-aminium chloride
ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate
N-[(E)-2,3-Dihydroinden-1-ylideneamino]-2-nitroaniline
2-imino-2-methoxyethyl 1-thio-alpha-D-mannopyranoside
[methyl-[[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]amino]-oxidoazanium
2-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1-nitroguanidine
3-[[(2-Isopropoxyphenyloxy)carbonyl]amino]propanoic acid
[Methyl-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]amino]-oxidoazanium
[methyl-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl]amino]-oxidoazanium
2-(3-Methylpentan-2-ylamino)-6-methylsulanylbenzoic acid
(2S)-2-[2-(pyridine-4-carbonyl)hydrazinyl]pentanedioic acid
N-Hydroxy-3,4-(methylenedioxy)amphetamine, TMS derivative
7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione
2-Butoxy-3-pyridinecarboxylic acid trimethylsilyl ester
5-Cyano-4,4,7,7-tetramethoxy-3-methyl-2,5-cycloheptadien-1-one
6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Prinomide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
S-(5-deoxy-beta-D-ribos-5-yl)-L-homocysteine
An S-(5-deoxy-D-ribos-5-yl)-L-homocysteine in which the anomeric centre has beta-configuration.
S-(5-deoxy-D-ribos-5-yl)-L-homocysteine zwitterion
Zwitterionic form of S-(5-deoxy-D-ribos-5-yl)-L-homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
N-trans-cinnamoyltyramine
A member of the class of cinnamamides that is tyramine substituted by a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at the nitrogen atom. It is found in rice and exhibits an allelopathic effect to suppress the growth of weeds.
Adenine arabinoside
A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.
IMM-01
IMM-01 is a mammalian Diaphanous (mDia)-related formins agonist that inhibits DID-DAD (diaphanous inhibitory domain-diaphanous autoregulatory domain) binding with an IC50 of 140 nM. IMM-01 acts by disrupting the autoinhibitory bond between the DID and DAD domain and thus activates formins. IMM-01 shows anticancer effects[1].
15-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-16-ol
2,4-dihydroxy-n-(2-methoxy-2-oxoethyl)-3,5,6-trimethylbenzenecarboximidic acid
2-methyl-4,4-dioxo-n-phenyl-5,6-dihydro-1,4λ⁶-oxathiine-3-carboximidic acid
(3r,6s,8s)-6,8-dihydroxy-4,9-dioxa-2-azatricyclo[8.4.0.0³,⁸]tetradeca-1(10),11,13-triene-14-carboxylic acid
methyl (4as,7as)-2-(2-hydroxyethyl)-7-(hydroxymethyl)-1-oxo-4ah,5h,7ah-cyclopenta[c]pyridine-4-carboxylate
astone
{"Ingredient_id": "HBIN017208","Ingredient_name": "astone","Alias": "NA","Ingredient_formula": "C11H19Cl2NO2","Ingredient_Smile": "CC(C)NCC(C1=CC=CC=C1Cl)O.O.Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30631","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
