Exact Mass: 295.1055822
Exact Mass Matches: 295.1055822
Found 439 metabolites which its exact mass value is equals to given mass value 295.1055822,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Prunasin
(R)-prunasin is a prunasin. Prunasin is a natural product found in Polypodium californicum, Chaenorhinum minus, and other organisms with data available. Prunasin is found in almond. Prunasin is isolated from kernels of Prunus species, immature fruits of Passiflora species and leaves of perilla (Perilla frutescens var. acuta) Prunasin belongs to the family of O-glycosyl Compounds. These are glycosides in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Isolated from kernels of Prunus subspecies, immature fruits of Passiflora subspecies and leaves of perilla (Perilla frutescens variety acuta). Prunasin is found in many foods, some of which are almond, sour cherry, black elderberry, and herbs and spices. Prunasin is found in almond. Prunasin is isolated from kernels of Prunus species, immature fruits of Passiflora species and leaves of perilla (Perilla frutescens var. acuta D004791 - Enzyme Inhibitors
Xylopine
Xylopine, also known as (-)-xylopine, 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. Xylopine is practically insoluble (in water) and a very strong basic compound (based on its pKa). Xylopine can be found in cherimoya and custard apple, which makes xylopine a potential biomarker for the consumption of these food products. Xylopine is an antimicrobial benzylisoquinoline alkaloid . Xylopine is an aporphine alkaloid. Xylopine is a natural product found in Dasymaschalon longiflorum, Annona muricata, and other organisms with data available.
N4-Acetylsulfamethoxazole
N4-Acetylsulfamethoxazole is a metabolite of the sulfonamide bacteriostatic antibiotic sulfamethoxazole. Sulfamethoxazole is metabolized via acetylation catalyzed by liver extramitochondrial N-acetyl transferases. Acetylsulfamethoxazole is excreted in urine. Acetylsulfamethoxazole and sulfamethoxazole can be used as a probe for the molecular percentage enrichment of liver extramitochondrial acetyl-CoA. N4-Acetylsulfamethoxazole can be used as a reference for measuring sulfamethoxazole impurities and waste determination (PMID: 15307787). It is one of the critical aspects of urine and stone analysis (PMID: 3811034) and its quantitative determination in body fluids could be performed by reversed-phase high-performance liquid chromatography, a rapid, precise and simple procedure (PMID: 6668314). It is also reported the renal excretion rate of the metabolite N4-acetylsulfamethoxazole is not dependent on the urinary pH (PMID: 670346). N4-Acetylsulfamethoxazole is only found in individuals who have consumed the drug sulfamethoxazole. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 299
Butralin
CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10587; ORIGINAL_PRECURSOR_SCAN_NO 10584 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10578; ORIGINAL_PRECURSOR_SCAN_NO 10575 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10538; ORIGINAL_PRECURSOR_SCAN_NO 10536 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10568; ORIGINAL_PRECURSOR_SCAN_NO 10564 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10608; ORIGINAL_PRECURSOR_SCAN_NO 10604 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10617; ORIGINAL_PRECURSOR_SCAN_NO 10612
Azocene
CONFIDENCE standard compound; INTERNAL_ID 741; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9290; ORIGINAL_PRECURSOR_SCAN_NO 9289 CONFIDENCE standard compound; INTERNAL_ID 741; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9317 INTERNAL_ID 8442; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8442 CONFIDENCE standard compound; INTERNAL_ID 2582 D016573 - Agrochemicals D010575 - Pesticides
Sumatriptan
C14H21N3O2S (295.13544060000004)
Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. Sumatriptan is structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. The specific receptor subtype it activates is present in the cranial and basilar arteries. Activation of these receptors causes vasoconstriction of those dilated arteries. Sumatriptan is also shown to decrease the activity of the trigeminal nerve. Sumatriptan is a triptan drug including a sulfonamide group structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of migraines. Sumatriptan (Imitrex, Imigran, Imigran Recovery) is a triptan drug including a sulfonamide group which was originally developed by Glaxo for the treatment of migraine headaches. Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. Sumatriptan is structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. The specific receptor subtype it activates is present in the cranial and basilar arteries. Activation of these receptors causes vasoconstriction of those dilated arteries. Sumatriptan is also shown to decrease the activity of the trigeminal nerve.; Sumatriptan is a triptan drug including a sulfonamide group structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Sumatriptan (GR 43175) is an orally active 5-HT1 receptor agonist with IC50s of 7.3 nm, 9.3nm and 17.8 nm for 5-HT1D, 5-HT1B and 5-HT1F receptors, respectively. Sumatriptan can be used for migraine headache research[1][2][3][4].
5-Aminoimidazole ribonucleotide
5-aminoimidazole ribonucleotide (AIR), is an intermediate of purine nucleotide biosynthesis. It is also the precursor to 4-amino-2-methyl-5-hydroxymethylpyrimidine (HMP), the first product of pyrimidine biosynthesis. This reaction is mediated by the enzyme HMP-P kinase (ThiD). HMP is a precursor of thiamine phosphate (TMP), and subsequently to thiamine pyrophosphate (TPP). TPP is an essential cofactor in all living systems that plays a central role in metabolism. (PMID: 15326535). 5-Aminoimidazole ribonucleotide is a substrate for a number of proteins including: Scaffold attachment factor B2, Multifunctional protein ADE2, Pulmonary surfactant-associated protein B, Tumor necrosis factor receptor superfamily member 25, Pulmonary surfactant-associated protein C, Serine/threonine-protein kinase Chk1, Vinexin, Trifunctional purine biosynthetic protein adenosine-3, Antileukoproteinase 1 and Scaffold attachment factor B. 5-aminoimidazole ribonucleotide (AIR), is an intermediate of purine nucleotide biosynthesis. It is also the precursor to 4-amino-2-methyl-5-hydroxymethylpyrimidine (HMP), the first product of pyrimidine biosynthesis. This reaction is mediated by the enzyme HMP-P kinase (ThiD). HMP is a precursor of thiamine phosphate (TMP), and subsequently to thiamine pyrophosphate (TPP). TPP is an essential cofactor in all living systems that plays a central role in metabolism. (PMID: 15326535) COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
NSC627046
N6,N6-Dimethyladenosine is a modified ribonucleoside previously found in rRNA, and also exhibits in mycobacterium bovis Bacille Calmette-Guérin tRNA[1].
Indican
Indican is a colourless, water-soluble organic compound consisting of an indole ring conjugated to glucose. It is an indole glycoside. Its hydrolysis yields β-D-glucose and indoxyl. Indoles are compounds which consist of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. The oxidation of indican by a mild oxidizing agent, e.g. atmospheric oxygen or CYP450 enzymes, yields indigo dye which is blue in colour. Indican is a substance occurring naturally in the urine of humans and mammals and also in blood plasma as a normal metabolite of tryptophan. Tryptophan is first converted to indole by gut bacteria. Following absorption from the gut, indole is converted to 3-hydroxyindole (indoxyl or indican) in the liver, where it is again then conjugated with sulfuric acid or glucoronic acid through normal xenobiotic metabolism pathways. It is then transported to the kidneys for excretion. In individuals affected by the blue diaper syndrome (a rare, autosomal recessive metabolic disorder characterized in infants by bluish urine-stained diapers), the patients exhibit a defect in tryptophan metabolism, leading to an increase in indican synthesis. Indican is then excreted into the urine and from there into the diaper where, upon exposure to air, it is converted to indigo blue dye due to oxidation by atmospheric oxygen. An increased urinary excretion of indican is seen in Hartnup disease from the bacterial degradation of unabsorbed tryptophan (PMID: 19967017). Hartnup disease is an autosomal recessive metabolic disorder affecting the absorption of nonpolar amino acids (particularly tryptophan), which leads to excessive bacterial fermentation of tryptophan (to indole) in the gut. Indican has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Its excretion is decreased by the presence of Lactobacillus bacteria in the gut (PMID: 6785555 ). Indican is an indolyl carbohydrate, a beta-D-glucoside and an exopolysaccharide. Indican is a natural product found in Indigofera suffruticosa, Isatis tinctoria, and other organisms with data available. Indican is a toxic metabolite derived from dietary proteins and tryptophan. In the intestine, proteins and tryptophan are converted to indole by tryptophanase-expressing organisms. In the liver, indole is hydroxylated to form indoxyl and indoxyl is sufated to produce indican. Overproduction of indican is associated with glomerular sclerosis, interstitial fibrosis and renal failure. Indican is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. It is a colourless organic compound, soluble in water, naturally occurring in Indigofera plants. It is a precursor of indigo dye. Indican interferes with many commercial procedures for measuring total bilirubin[6] which can be a problem for renal failure patients where blood indican levels are raised. It can cause gastrointestinal symptoms in patients where protein absorption is reduced - like Hartnups disease, allowing for greater bacterial decomposition of the Tryptophan to indole and its conversion to indican.
Citalopram aldehyde
Citalopram aldehyde is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)
Sambunigrin
Isolated from leaves of elderberry (Sambucus nigra) and from other plants. Sambunigrin is found in passion fruit, fruits, and black elderberry. Sambunigrin is found in black elderberry. Sambunigrin is isolated from leaves of elderberry (Sambucus nigra) and from other plant
mebendazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents INTERNAL_ID 8534; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8534 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3668 CONFIDENCE standard compound; INTERNAL_ID 1164 CONFIDENCE standard compound; INTERNAL_ID 1064
Norfluoxetine
Norfluoxetine is a metabolite of fluoxetine. (S)-Norfluoxetine, also known as seproxetine, is a selective serotonin reuptake inhibitor (SSRI). It is the most important active metabolite of the widely used antidepressant fluoxetine but little is known about its pharmacological actions. Seproxetine was being investigated by Eli Lilly and Company as an antidepressant, however, a cardiac side effect was noted and development was discontinued (Wikipedia).
Mebendazole
Mebendazole is only found in individuals that have used or taken this drug. It is a benzimidazole that acts by interfering with carbohydrate metabolism and inhibiting polymerization of microtubules. [PubChem]Mebendazole causes degenerative alterations in the tegument and intestinal cells of the worm by binding to the colchicine-sensitive site of tubulin, thus inhibiting its polymerization or assembly into microtubules. The loss of the cytoplasmic microtubules leads to impaired uptake of glucose by the larval and adult stages of the susceptible parasites, and depletes their glycogen stores. Degenerative changes in the endoplasmic reticulum, the mitochondria of the germinal layer, and the subsequent release of lysosomes result in decreased production of adenosine triphosphate (ATP), which is the energy required for the survival of the helminth. Due to diminished energy production, the parasite is immobilized and eventually dies. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents
7-Hydroxyheptaphylline
7-Hydroxyheptaphylline is found in fruits. 7-Hydroxyheptaphylline is an alkaloid from root bark of Clausena lansium (wampee). Alkaloid from root bark of Clausena lansium (wampee). 7-Hydroxyheptaphylline is found in fruits.
Piperolactam D
Piperolactam D is found in herbs and spices. Piperolactam D is an alkaloid from the roots of Piper longum (long pepper),. Alkaloid from the roots of Piper longum (long pepper),. Piperolactam D is found in herbs and spices.
Tyrosyl-Asparagine
Tyrosyl-Asparagine is a dipeptide composed of tyrosine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Asparaginyl-Tyrosine
Asparaginyl-Tyrosine is a dipeptide composed of asparagine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Prulaurasin
Prulaurasin is found in fruits. Prulaurasin is isolated from cherry laurel leaves (Prunus laurocerasus) and other plant Isolated from cherry laurel leaves (Prunus laurocerasus) and other plants. Prulaurasin is found in fruits. D004791 - Enzyme Inhibitors
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is found in fruits. (S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is a constituent of the leaves and stems of passion fruit (Passiflora edulis). Constituent of the leaves and stems of passion fruit (Passiflora edulis). (S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside is found in fruits.
Nor-ketotifen
Nor-ketotifen is a metabolite of ketotifen. Ketotifen is a second-generation H1-antihistamine and mast cell stabilizer. It is most commonly sold in as a salt of fumaric acid, ketotifen fumarate, and is available in two forms. In its ophthalmic form, it is used to treat allergic conjunctivitis, or the itchy red eyes caused by allergies. In its oral form, it is used to prevent asthma attacks. Side effects include drowsiness, weight gain, dry mouth, irritability, and increased nosebleeds. (Wikipedia)
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium is considered to be soluble (in water) and acidic
Norquetiapine
C17H17N3S (295.11431220000003)
2-Methacryloyloxyethyl phosphorylcholine
2-Methyl-3-(3-nitro-o-tolyl)-4(3H)-quinazolinone
H-Tyr-gly-gly-OH
Dothiepin
Indobufen
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
N(1)-Acetylsulfamethoxazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
N(6),O(2)-Dimethyladenosine
N2-Ethyl-2'-deoxyguanosine
Nepicastat
Pizotifen
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics Pizotifen (Pizotyline) is a potent 5-HT2 receptor antagonist, with a high affinity for 5-HT1C binding site.
N~2~,N~2~-Dimethyl-N~1~-(6-oxo-5,6-dihydrophenanthridin-2-YL)glycinamide
3-Hydroxy-1,2-dimethoxydibenz[cd,f]indol-4(5H)-one
3,3-Dimethyl-10-hydroxy-1,2,3,11-tetrahydropyrano[3,2-a]carbazole-5-carbaldehyde
2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol
Piperlactam S
Piperlactam S is an organic heterotetracyclic compound that is dibenzo[cd,f]indol-4(5H)-one carrying two methoxy substituents at positions 1 and 5 as well as a hydroxy substituent at position 2. It has a role as a plant metabolite, an antioxidant and an anti-inflammatory agent. It is an organic heterotetracyclic compound, an aromatic ether, a gamma-lactam, an alkaloid and a member of phenols. 2-Hydroxy-1,5-dimethoxydibenzo[cd,f]indol-4(5H)-one is a natural product found in Piper hongkongense, Piper puberulum, and Piper kadsura with data available. An organic heterotetracyclic compound that is dibenzo[cd,f]indol-4(5H)-one carrying two methoxy substituents at positions 1 and 5 as well as a hydroxy substituent at position 2. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
10-Amino-2,3-dimethoxy-4-hydroxyphenanthrene-1-carboxylic acid lactam
Pethoxamid
CONFIDENCE standard compound; INTERNAL_ID 2535 CONFIDENCE standard compound; INTERNAL_ID 8399 CONFIDENCE standard compound; INTERNAL_ID 4062 CONFIDENCE standard compound; EAWAG_UCHEM_ID 700
Dothiepin
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection 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)
Isoxadifen-ethyl
CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9548; ORIGINAL_PRECURSOR_SCAN_NO 9545 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9558; ORIGINAL_PRECURSOR_SCAN_NO 9557 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9573; ORIGINAL_PRECURSOR_SCAN_NO 9571 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9589; ORIGINAL_PRECURSOR_SCAN_NO 9588 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9589; ORIGINAL_PRECURSOR_SCAN_NO 9587 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9601; ORIGINAL_PRECURSOR_SCAN_NO 9599 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3168
nimetazepam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
N-benzyl-N-(1-cyclopropylethenyl)-3-fluorobenzamide
C19H18FNO (295.13723500000003)
Pizotifen
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics Pizotifen (Pizotyline) is a potent 5-HT2 receptor antagonist, with a high affinity for 5-HT1C binding site.
12-hydroxy-(13betaH)-19,20-dinor-crotalanane-11,15-dione|Crobarbatin|crobarbatine
6-(1-acetoxy-2-dihydroxy-propyl)-2-amino-3H,8H-pteridine-4,7-dione
C11H13N5O5 (295.09166480000005)
O1-(4-Cyan-phenyl)-beta-D-glucopyranuronsaeure|O1-(4-cyano-phenyl)-beta-D-glucopyranuronic acid
6-(2-acetoxy-1-dihydroxy-propyl)-2-amino-3H,8H-pteridine-4,7-dione
C11H13N5O5 (295.09166480000005)
5-acetamido-3,5-dideoxy-beta-D-glycero-D-galacto-nonulopyranose|5-Acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulo-pyranose
(+)-N-[3,4-dihydroxy-(E)-cinnamoyl]-L-aspartic acid|N-(E)-caffeic acid L-aspartic acid amide
1,4-dideoxy-1,4-imino-(5-O-beta-D-glucopyranosyl)-D-arabinitol
(6aR)-4,5,6a,7-tetrahydro-2-hydroxy-1-methoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde|kachirachiranine|N-formylasimilobine
Penipanoid A
A member of the class of benzoic acids that is benzoic acid substituted by a 1H-1,2,4-triazol-1-yl group at position 2 which in turn is substituted by a 4-hydroxybenzyl group at position 5. It has been isolated from Penicillium paneum.
(4-beta-D-Glucopyranosyloxy-phenyl)-acetonitril|(4-beta-D-glucopyranosyloxy-phenyl)-acetonitrile|(4-hydroxyphenyl)acetonitrile 4-O-beta-D-glucopyranoside|hydranitriloside B2|[4-(beta-D-glucopyranosyloxy)phenyl]acetonitrile
4-(7-hydroxy-3-methoxy-6-methyl-9H-carbazol-4-yl)but-3-en-2-one
2,8-dihydroxy-7-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde|excavatine A
8-(2-aminoethyl)-1,1-dioxo-2,3,4,6-tetrahydropyrrolo[2,3-g][1,4]benzothiazine-5,9-dione
9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate
GB4 Toxin|O,O-dipropyl (E)-2-(1-methyl-2-oxopropylidene)phosphorahydrazidothioate-(E)-oxime|O,O-dipropyl (E)-2-(1-methyl-2-oxopropylidene)phosphorohydrazidothioate (E)-oxime|O,O-Dipropyl(E)-2-(1-methyl-2-oxopropylidene)phosphorohydrazidothioate(E)-oxime
C10H22N3O3PS (295.11194320000004)
2,10,11-trihydroxy-8-methoxy-1,6,7,8-tetrahydro-2h-benzo[e]azecine-3,5-dione
(+)-norstephalagine|(-)-norstephalagine|noestephalagine|Norstephalagin|Norstephalagine
7-Hydroxy-6-methoxy-1-(4-hydroxybenzoyl)isoquinoline
11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine
C17H17N3S (295.11431220000003)
Aristolactam A III
Aristololactam A-III is a natural product found in Aristolochia kaempferi and Aristolochia liukiuensis with data available.
Acetylsulfamethoxazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 2672 CONFIDENCE standard compound; INTERNAL_ID 8589 CONFIDENCE standard compound; INTERNAL_ID 4117 CONFIDENCE standard compound; INTERNAL_ID 2014
Norfluoxetine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 335 CONFIDENCE standard compound; INTERNAL_ID 2112
Propranolol HCl
Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].
Seproxetine
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1000 C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(+)-N-[3,4-Dihydroxy-(E)-cinnamoyl]-L-aspartic acid
(+)-N-[3,4-Dihydroxy-(Z)-cinnamoyl]-L-aspartic acid
C14H21N3O4_1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1,2-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate
C14H17NO6_(beta-D-Glucopyranosyloxy)(phenyl)acetonitrile
sumatriptan
C14H21N3O2S (295.13544060000004)
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Sumatriptan (GR 43175) is an orally active 5-HT1 receptor agonist with IC50s of 7.3 nm, 9.3nm and 17.8 nm for 5-HT1D, 5-HT1B and 5-HT1F receptors, respectively. Sumatriptan can be used for migraine headache research[1][2][3][4].
prulaurasin
D004791 - Enzyme Inhibitors
1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1,2-f]pyrazin-10a-yl)propan-2-yl carbamate
Dosulepin
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-Quinoline-3-carboxylic acid
3-Pyrrolidineacetic acid, 5-oxo-4,4-diphenyl- (9CI)
(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-carboxylate
C15H21NO3S (295.12420760000003)
Asn-tyr
A dipeptide composed of L-asparagine and L-tyrosine joined by a peptide linkage.
piperolactam D
7-Hydroxyheptaphylline
A natural product found in Clausena harmandiana.
1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1,2-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate
(S)-malyl alpha-D-glucosaminide
C10H17NO9 (295.09032720000005)
A D-glucosaminide having (S)-malyl as the anomeric substituent and alpha-configuration at the anomeric centre.
3-(PYRROLIDINE-1-CARBONYL)-[1,1-BIPHENYL]-2-CARBOXYLIC ACID
Amfenac sodium hydrate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic Food additive
2-BENZYLOXY-3-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID
4-Nitro-2-(2,5,5-trimethyl-[1,3]dioxan-2-yl)-benzoic acid
1-Piperazineaceticacid, 4-methyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide
3-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)OXY]PYRIDINE-2-CARBOXYLICACID
C12H13N3O6 (295.08043180000004)
N-(2-Chlorobenzyl)-1-phenyl-2-propanamine hydrochloride (1:1)
C16H19Cl2N (295.08944740000004)
4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE
2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-(hydroxymethyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
C14H15F2N3O2 (295.11322739999997)
(3-CYCLOPROPANECARBONYL-PHENYL)-CARBAMIC ACID BENZYL ESTER
7-tert-Butyl 2-ethyl 5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate
7-BENZYL-5,6,7,8-TETRAHYDRO4-CHLORO-PYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE
2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
C17H13NO2S (295.06669580000005)
4,6-Di-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
(2S,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID
(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
TRIADIMENOL
A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. D016573 - Agrochemicals D010575 - Pesticides
3-AMINO-3-[5-(3-CHLORO-4-METHOXYPHENYL)-FURAN-2-YL]-PROPIONIC ACID
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-propanoic acid
tyr-gly-gly
A tripeptide composed of one L-tyrosine and two glycine residues joined in sequence.
2-(3-OXO-1,2,3,4-TETRAHYDRO-QUINOXALIN-2-YL)-N-P-TOLYL-ACETAMIDE
(5-AMINO-2-METHOXY-PHENYL)-CARBAMICACIDTERT-BUTYLESTER
N,N-bis(2-chloroethyl)-3-phenylpropan-1-amine hydrochloride
C13H20Cl3N (295.06612500000006)
Dibenamine hydrochloride
C16H19Cl2N (295.08944740000004)
Dibenamine hydrochloride is a competitive and irreversible?adrenergic blocking agent and?is known to modify the pharmacological effects of epinephrine. Dibenamine hydrochloride cause a significant increase in the rate of destruction of I-epinephrine in the mouse[1][2].
boc-(r)-3-amino-3-(2-methoxy-phenyl)-propionic acid
Chlorothen
C14H18ClN3S (295.09098980000005)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2,3,6-PYRIDINETRICARBOXYLIC ACID, 2,3,6-TRIETHYL ESTER
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
9-(3,4-dichlorophenyl)-3-azaspiro[5.5]undec-9-ene
C16H19Cl2N (295.08944740000004)
methyl 3-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoate
N-(4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
2-(4-BENZYLOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE
C17H13NO2S (295.06669580000005)
[2-(2,4-dimethoxy-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-3-carboxylic acid
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)HEXANEDIOIC ACID
4-aminobenzoic acid,(2,5-dioxoimidazolidin-4-yl)urea
C11H13N5O5 (295.09166480000005)
1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)ethanone
C18H14ClNO (295.07638640000005)
4-chloro-N-[1-(N-hydroxycarbamimidoyl)cyclohexyl]benzamide
[2-(3,4-dimethoxy-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
2-(3-(BENZYLOXY)PHENYL)THIAZOLE-4-CARBALDEHYDE
C17H13NO2S (295.06669580000005)
Dexpropranolol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents (R)-Propranolol hydrochloride is a less active enantiomer of the?β-adrenoceptor antagonist?propranolol (HY-B0573). Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1].
2-[2-(4-bromophenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
1-[2-(2-METHOXY-PHENOXY)-ETHYL]-1H-INDOLE-3-CARBALDEHYDE
5-tert-butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
(2S,4R)-1-(Diisopropoxyphosphoryl)-4-hydroxypyrrolidine-2-carboxylic acid
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
(5-OXO-5-PHENYL-PENTYL)-CARBAMICACIDTERT-BUTYLESTER
4-CHLORO-2-(1-(NAPHTHALEN-1-YLIMINO)ETHYL)PHENOL
C18H14ClNO (295.07638640000005)
Azidamfenicol
C11H13N5O5 (295.09166480000005)
S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics C254 - Anti-Infective Agent > C258 - Antibiotic
2-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-METHOXYPHENYL)PROPANOIC ACID
Entecavir hydrate
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Entecavir monohydrate (BMS200475 monohydrate; SQ34676 monohydrate) is a potent and selective inhibitor of HBV, with an EC50 of 3.75 nM in HepG2 cell.
5-(Trifluoromethyl)-2-deoxycytidine
C10H12F3N3O4 (295.07798679999996)
3,5-BIS(ACETYLAMINO)-4-METHYL-2-NITRO-BENZOIC ACID
C12H13N3O6 (295.08043180000004)
3- bis(trime-silyl)amino!phe-magnesium
C12H22ClMgNSi2 (295.08297419999997)
4-AMINO-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER 2HCL
4-chloro-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester
1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
ETHYL 5-HYDROXY-8-METHYL-2-(METHYLTHIO)-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
4,6-DIAMINO-1-(4-METHOXY-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE
3-(2-(BENZYLAMINO)ETHYL)QUINAZOLINE-2,4(1H,3H)-DIONE
4-Hydroxy tolbutamide
4-Hydroxy tolbutamide is a hydroxylation byproduct of tolbutamide. Tolbutamide is a first generation potassium channel blocker. It is a sulfonylurea oral hypoglycemic drug sold under the brand name Orinase. This drug may be used in the management of type II diabetes if diet alone is not effective. Tolbutamide stimulates the secretion of insulin by the pancreas. [HMDB]
2-(3-HYDROXY-4-METHOXYPHENYL)QUINOLINE-4-CARBOXYLICACID
2-diethoxyphosphoryl-1-(1H-indol-3-yl)ethanone
C14H18NO4P (295.09733980000004)
Benzeneacetonitrile, a-(3-chloropropyl)-3,4-dimethoxy-a-(1-methylethyl)-
(2R,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID
N-Benzyl-N,N,N-trimethylammonium hexafluorophosphate
6-METHYL-4-PIPERAZINO-2-(TRIFLUOROMETHYL)QUINOLINE
2-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-METHOXYPHENYL)PROPANOIC ACID
boc-(s)-3-amino-3-(2-methoxy-phenyl)-propionic acid
Propranolol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].
4-AMINO-BENZOIC ACID 3-(1H-BENZOIMIDAZOL-2-YL)-PROPYL ESTER
3-(5,6-dimethyl-1H-indol-2-yl)-4-methoxybenzoic acid
2-BENZYL-7-BROMO-6-METHOXY-2-AZABICYCLO[2.2.1]HEPTANE
methyl 4-(4-pyridin-4-ylphenyl)thiophene-2-carboxylate
C17H13NO2S (295.06669580000005)
5-(2,1,3-benzoxadiazol-5-yl)-N-cyclopentyl-2-methylpyrimidin-4-amine
methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
(1-(TERT-BUTOXYCARBONYL)-5-CHLORO-1H-INDOL-2-YL)BORONIC ACID
3,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
Sulodexide
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AB - Heparin group D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D006401 - Hematologic Agents > D000925 - Anticoagulants D009676 - Noxae > D000963 - Antimetabolites D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D007004 - Hypoglycemic Agents
2-chloro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
methyl 4-hydroxy-6-phenoxyisoquinoline-3-carboxylate
(R)-2-((2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)AMINO)-3-METHYLBUTANOIC ACID
N-[3-(TrifluoroMethyl)phenyl]-4-MethoxybenzaMide, 97\\%
Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride
3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
N-(4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
(S)-(-)-PROPRANOLOL HYDROCHLORIDE
(S)-(-)-Propranolol hydrochloride is a β-adrenergic receptor antagonist with log Kd?values of -8.16, -9.08, and -6.93 for β1, β2, and β3, respectively. (S)-(-)-Propranolol hydrochloride the active enantiomer of propranolol and can be s used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[2].
2-AMINO-1,4-DIHYDRO-4-PHENYL-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, ETHYL ESTER
(9H-Fluoren-9-yl)methyl 3-hydroxyazetidine-1-carboxylate
4-CHLORO-5-FORMYL-3,6,6-TRIMETHYL-6,7-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
1-Benzyl 3-methyl 3-fluoro-1,3-piperidinedicarboxylate
Celgosivir hydrochloride
C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor
6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
6-[4-(Methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
3,6-Diamino-10-methylacridinium chloride hydrochloride
1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
furan-2-yl-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
5-Methyl-2-(2-phenoxyethyl)-4-phenyl-1,2,4-triazol-3-one
(E)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
N-(2-Carboxy-6-methylphenyl)-N-(methoxyacetyl)-DL-alanine
(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
1-(2,5-Dideoxy-5-Pyrrolidin-1-Yl-Beta-L-Erythro-Pentofuranosyl)-5-Methylpyrimidine-2,4(1h,3h)-Dione
Indobufen
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
aspulvinone E(1-)
An organic anion that is the conjugate base of aspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3.
3-[3-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]propanoyl]benzoate
5-(4-methylphenyl)-2-spiro[1H-indole-3,2-3H-1,3,4-thiadiazole]one
C16H13N3OS (295.07792880000005)
6-Chloro-7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
2-[[(4-Ethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester
C15H21NO3S (295.12420760000003)
2-Methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol
Acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] ester
7-Hydroxy-2-methyl-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-one
N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolesulfonamide
4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone
2,4-Dimethyl-6-phenyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
C16H13N3OS (295.07792880000005)
6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-2,3-dihydroisoindol-1-one
1-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(2-methoxyethyl)thiourea
C13H17N3O3S (295.09905720000006)
2-[[4-Amino-2-(ethylamino)-5-thiazolyl]-phenylmethylidene]propanedinitrile
C15H13N5S (295.08916180000006)
N-{4-[3-(2-methoxyphenyl)acryloyl]phenyl}acetamide
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
3-[(2-Fluorophenyl)methyl]-7-(1-imidazolyl)triazolo[4,5-d]pyrimidine
C14H10FN7 (295.09816720000003)
2-[5-(3,4-Dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile
C16H13N3OS (295.07792880000005)
3-[1-(2-Furanylmethyl)-5-phenyl-2-pyrrolyl]propanoic acid
2-hydroxy-N-[(1-methyl-2-oxo-3-indolylidene)amino]benzamide
N-(2-oxolanylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
5-(2-Furanylmethylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile
2-Methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
C14H17NO4S (295.08782420000006)
1-(4-methylphenyl)-5-[(4-morpholinylmethylene)amino]-1H-pyrazole-4-carbonitrile
Hydron;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;chloride
3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
7-Chloro-N-[(E)-(2-methylphenyl)methylideneamino]quinolin-4-amine
(1S)-1-[5-[(3-fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-methyl-1-butanamine
C14H18FN3OS (295.11545500000005)
N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-L-alaninamide
3-Hydroxy-1-methyl-4,5-diphenylpiperidine-2,6-dione
4-{[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-2,5-dihydropyrazin-2-yl]methyl}phenol
(E)-3-(2-Furoylmethylene)-1-para-tolyl-2,5-pyrrolidinedione
Xylopine
Xylopine is an aporphine alkaloid. Xylopine is a natural product found in Dasymaschalon longiflorum, Annona muricata, and other organisms with data available.
5-Aminoimidazole ribonucleotide
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N,N-Dimethyladenosine
N6,N6-Dimethyladenosine is a modified ribonucleoside previously found in rRNA, and also exhibits in mycobacterium bovis Bacille Calmette-Guérin tRNA[1].
N-acetylsulfamethoxazole
A sulfonamide compound having a 4-acetamidophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom.
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside
Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-
(6S,10bR)-6-[4-(methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
Tyr-Gly-Gly zwitterion
A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Tyr-Gly-Gly. Major microspecies at pH 7.3.
isoaspulvinone E(1-)
An organic anion that is the conjugate base of isoaspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3.
5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole
A 1-(phosphoribosyl)imidazole that is 5-aminoimidazole in which the proton at position 1 has been replaced by a 5-phospho-beta-D-ribofuranosyl group.
2'-O,4'-C-Methyleneguanosine
C11H13N5O5 (295.09166480000005)
2′-O,4′-C-Methyleneguanosine (LNA-G) is a reverse guanine analogue, where LNA (locked nucleic acid) is a nucleic acid analogue. LNA modification can be used in a variety of applications such as effective binding affinity to complementary sequences and greater nuclease resistance than natural nucleotides, offering great potential for applications in disease diagnosis and research. LNA-G is also available via KOD DNA polymerase, which allows the integration of LNA-G nucleotides into the DNA strand[1][2].
Dopamine D2 receptor agonist-3
Dopamine D2 receptor agonist-3 (compound 3) is a selective D2 receptor partial agonist and Dopamine D3 receptor antagonist (with pEC50 of 8.3 and <5.5 respectively)[1].
N6,2′-O-Dimethyladenosine
N6,2′-O-Dimethyladenosine, a substrate of fat mass and obesity-associated gene (FTO), is a reversible modification widely occurred on varied RNA molecules. N6,2′-O-Dimethyladenosine can regulate obesity[1][2].
N6-Ethyladenosine
N6-Ethyladenosine is an adenosine derivative, acts as a Adenosine receptor agonist, with Kis of 4.9 and 4.7 nM for hA1AR and hA3AR, respectively[1]. N6-Ethyladenosine is an adenosine derivative, acts as a Adenosine receptor agonist, with Kis of 4.9 and 4.7 nM for hA1AR and hA3AR, respectively[1].