Exact Mass: 331.0991
Exact Mass Matches: 331.0991
Found 481 metabolites which its exact mass value is equals to given mass value 331.0991,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ciprofloxacin
Ciprofloxacin is only found in individuals that have used or taken this drug. It is a broad-spectrum antimicrobial carboxyfluoroquinoline.The bactericidal action of ciprofloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, strand supercoiling repair, and recombination. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 276 KEIO_ID C133; [MS3] KO008906 KEIO_ID C133; [MS2] KO008905 KEIO_ID C133 Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4]. Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4].
2'-Deoxyadenosine 5'-phosphate
Deoxyadenosine monophosphate (dAMP), also known as deoxyadenylic acid or deoxyadenylate in its conjugate acid and conjugate base forms, respectively, is a derivative of the common nucleic acid AMP, or adenosine monophosphate, in which the -OH (hydroxyl) group on the 2 carbon on the nucleotides pentose has been reduced to just a hydrogen atom (hence the "deoxy-" part of the name). Additionally, the monophosphate of the name indicates that two of the phosphoryl groups of GTP have been removed, most likely by hydrolysis. It is a monomer used in DNA. Adenosine is a nucleoside comprised of adenine attached to a ribose (ribofuranose) moiety via a -N9-glycosidic bond. Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2′-Deoxyadenosine 5′-monophosphate, a nucleic acid AMP derivative, is a deoxyribonucleotide found in DNA. 2′-Deoxyadenosine 5′-monophosphate can be used to study adenosine-based interactions during DNA synthesis and DNA damage[1]. 2′-Deoxyadenosine 5′-monophosphate, a nucleic acid AMP derivative, is a deoxyribonucleotide found in DNA. 2′-Deoxyadenosine 5′-monophosphate can be used to study adenosine-based interactions during DNA synthesis and DNA damage[1].
Piroxicam
Piroxicam is only found in individuals that have used or taken this drug. It is a cyclooxygenase inhibiting, non-steroidal anti-inflammatory agent (NSAID) that is well established in treating rheumatoid arthritis and osteoarthritis and used for musculoskeletal disorders, dysmenorrhea, and postoperative pain. Its long half-life enables it to be administered once daily. [PubChem]The antiinflammatory effect of Piroxicam may result from the reversible inhibition of cyclooxygenase, causing the peripheral inhibition of prostaglandin synthesis. The prostaglandins are produced by an enzyme called Cox-1. Piroxicam blocks the Cox-1 enzyme, resulting into the disruption of production of prostaglandins. Piroxicam also inhibits the migration of leukocytes into sites of inflammation and prevents the formation of thromboxane A2, an aggregating agent, by the platelets. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AC - Oxicams S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids 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 D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents KEIO_ID P068; [MS2] KO009199 D004791 - Enzyme Inhibitors KEIO_ID P068
Nizatidine
Nizatidine is only found in individuals that have used or taken this drug. It is a histamine H2 receptor antagonist with low toxicity that inhibits gastric acid secretion. The drug is used for the treatment of duodenal ulcers. [PubChem]Nizatidine competes with histamine for binding at the H2-receptors on the gastric basolateral membrane of parietal cells. Competitive inhibition results in reduction of basal and nocturnal gastric acid secretions. The drug also decreases the gastric acid response to stimuli such as food, caffeine, insulin, betazole, or pentagastrin. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Nizatidine is a potent and orally active histamine H2 receptor antagonist, can be used for the research of stomach?and?intestines ulcers. Nizatidine works by decreasing the secretion of gastric?acid the stomach makes and prevent ulcers from coming back after they have healed in animal models[1].
Pretazettine
Pretazettine, also known as pretazettine hydrochloride, (6abeta,8beta)-isomer, is a member of the class of compounds known as tazettine-type amaryllidaceae alkaloids. Tazettine-type amaryllidaceae alkaloids are amaryllidaceae alkaloids derived from the haemanthamine-type alkaloids, which are characterized as a linkage between C6 and C11 by an oxygen atom to form a [3,4-g]benzopyran framework. Pretazettine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pretazettine can be found in lovage, which makes pretazettine a potential biomarker for the consumption of this food product.
Pitolisant hydrochloride
C78272 - Agent Affecting Nervous System Pitolisant hydrochloride is a potent and selective nonimidazole inverse agonist at the recombinant human histamine H3 receptor (Ki=0.16 nM).
zotepine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics Zotepine, an antipsychotic agent, is a potent antagonist of 5-HT2A, 5-HT2C, Histamine H1, α1-adrenergic and Dopamine D2 receptors, with Kds of 2.6 nM, 3.2 nM, 3.3 nM, 7.3 nM and 8 nM, respectively. Zotepine exhibits antidepressive and anxiolytic effects in vivo[1][2].
Citbrasine
Citbrasine is found in citrus. Citbrasine is an alkaloid from the root bark of Citrus sinensis var. brasiliensis (navel orange). Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange). Citbrasine is found in citrus.
R-95913
R-95913 is only found in individuals that have used or taken Prasugrel. R-95913 is a metabolite of Prasugrel. R-95913 belongs to the family of Thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.
5'-O-Desmethyl omeprazole
5-O-Desmethyl omeprazole is only found in individuals that have used or taken Omeprazole. 5-O-Desmethyl omeprazole is a metabolite of Omeprazole. 5-o-desmethyl omeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
N'-Hydroxyneosaxitoxin
N-Hydroxyneosaxitoxin is isolated from the crab Zosimus aeneus. Isolated from the crab Zosimus aeneus.
(2R,3R,4S,5S,6R)-6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol
2'-Deoxyadenosine 3'-monophosphate
5'-O-beta-D-Glucosylpyridoxine
7-Chloro-N-[3-(2-nitroimidazol-1-yl)propyl]quinolin-4-amine
(R)-2-Amino-3-benzylthio-N-(4-nitrophenyl)propionamide
Benzoic acid 2-(acetyloxy)-3-[(nitrooxy)methyl]phenyl ester
(E)-2-(3-(Naphthalen-2-yl)but-2-enamido)benzoic acid
Cercosporamide
Didesethylflurazepam
(2S,3S)-2-(2,4-Difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Nitroaspirin
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase 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 D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-acetylhydrazide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole
N'-Acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
2-Methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide
4H-1,2,4-Triazole, 3-(trans-1-(4-chlorophenyl)-3-fluorocyclobutyl)-4,5-dicyclopropyl-
Axid Ar
Zonampanel
zotepine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics Zotepine, an antipsychotic agent, is a potent antagonist of 5-HT2A, 5-HT2C, Histamine H1, α1-adrenergic and Dopamine D2 receptors, with Kds of 2.6 nM, 3.2 nM, 3.3 nM, 7.3 nM and 8 nM, respectively. Zotepine exhibits antidepressive and anxiolytic effects in vivo[1][2].
4-hydroxy-2-nonenal-[Cys-Gly] conjugate
4-hydroxy-2-nonenal-[cys-gly] conjugate is a member of the class of compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 4-hydroxy-2-nonenal-[cys-gly] conjugate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4-hydroxy-2-nonenal-[cys-gly] conjugate can be found in a number of food items such as persian lime, silver linden, black raspberry, and nutmeg, which makes 4-hydroxy-2-nonenal-[cys-gly] conjugate a potential biomarker for the consumption of these food products.
N1-(3-Methoxyphenyl)-2-cyano-3-(4-methylpiperidino)-3-oxopropanethioamide
O1-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanehydroximamide
Tributyltin chloride; Tri-n-butylchlorotin; Tributylchlorostannane
(1R,2S,4aR,10bR)-10b-hydroxyhippeastrine|pancratinine A
Haploperine;Haploperin; Haplophytin B; Haplophytine B; NSC 94653
5alpha,11-dihydroxy-9,10-methanediyldioxy-1-methyl-lycoran-4(12)-en-7-one|Nor-Neronin|norneronine|O-demethyl-neronine
Cercosporamide
Cercosporamide is a member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii. It has a role as an antifungal agent, a phytotoxin, a fungal metabolite and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of dibenzofurans, a polyphenol, a monocarboxylic acid amide and a methyl ketone. Cercosporamide is a natural product found in Clarohilum henningsii and Phoma with data available. Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952) A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii.
1,6-dihydroxy-2,3,5-trimethoxy-10-methyl-9-acridone|1,6-Dihydroxy-2,3,5-trimethoxy-10-methylacridone
(R)-2-(2-Amino-O6-phosphono-2-desoxy-D-glucose-3-yloxy)-propionsaeure|2-Amino-O3-((R)-1-carboxy-aethyl)-O6-phosphono-2-desoxy-D-glucose|2-amino-O3-((R)-1-carboxy-ethyl)-O6-phosphono-2-deoxy-D-glucose|Muramsaeure-6-phosphat|O6-Phosphono-muramsaeure
6-methoxy-7-(2-methoxy-3-methyl-but-3-enyl)-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|Me ether -Ptelefolidine|O-methyl-ptelefolidine|Ptelefolidinmethylether
4,8-dimethoxy-5-methyl-7-(3-methyl-but-2-enyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one|Ptelecortin|Ptelecortine
13-Methyl-2-methoxy-7,8-dihydroindolo[2,3:3,4]pyrido[2,1-b]quinazoline-5(13H)-one
1-(4,8-dimethoxy-furo[2,3-b]quinolin-7-yloxy)-3-methyl-butan-2-ol|dihydro-evodine|dihydro-evoxoidine|Dihydroevoxoidin|evodine
10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine
MY-5445
MY-5445 is a specific inhibitor of the cyclic GMP phosphodiesterase, phosphodiesterase type 5 (PDE5), with a Ki of 1.3 μM. MY-5445 inhibits human platelet aggregation. MY-5445 is a selective modulator of ATP-binding cassette (ABC) transporter ABCG2, with anti-proliferative effect[1][2].
ciprofloxacin
A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1026 Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4]. Ciprofloxacin (Bay-09867) is a potent, orally active topoisomerase IV inhibitor. Ciprofloxacin induces mitochondrial DNA and nuclear DNA damage and lead to mitochondrial dysfunction, ROS production. Ciprofloxacin has anti-proliferative activity and induces apoptosis. Ciprofloxacin is a fluoroquinolone antibiotic, exhibiting potent antibacterial activity[1][2][3][4].
Deoxyadenosine monophosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.057 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 2′-Deoxyadenosine 5′-monophosphate, a nucleic acid AMP derivative, is a deoxyribonucleotide found in DNA. 2′-Deoxyadenosine 5′-monophosphate can be used to study adenosine-based interactions during DNA synthesis and DNA damage[1]. 2′-Deoxyadenosine 5′-monophosphate, a nucleic acid AMP derivative, is a deoxyribonucleotide found in DNA. 2′-Deoxyadenosine 5′-monophosphate can be used to study adenosine-based interactions during DNA synthesis and DNA damage[1].
piroxicam
A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid 1,1-dioxide with the exocyclic nitrogen of 2-aminopyridine. A non-steroidal anti-inflammatory drug of the oxicam class, it is used to relieve pain and works by preventing the production of endogenous prostaglandins involved in the mediation of pain, stiffness, tenderness and swelling. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AC - Oxicams S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids 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 D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
C18H21NO5_Tazettine
Nizatidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
2-Deoxyadenosine 5-monophosphate
A purine 2-deoxyribonucleoside 5-monophosphate having adenine as the nucleobase.
Aldehyde Reactive Probe
R-95913
5-O-Desmethyl omeprazole
3-[3-(4-chlorophenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
N-benzyl-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
3-[3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid
7-chloro-4-(4-methylpiperazin-1-yl)-10H-thieno[3,2-c][1]benzazepine
Flazalone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-chlorophenyl-2-acetamido-2-deoxy-beta-d-glucopyranoside
Dibenzepin hydrochloride
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
4-[2-[[(4-Methylphenyl)sulfonyl]oxy]ethyl]-1,3-dihydro-2H-indole-2-one
N-Benzoyl-L-argininamide hydrochloride monohydrate
7-Methoxycoumarin-4-acetic acid N-succinimidyl ester
7-Hydroxy-4-methylcoumarin-3-acetic acid, succinimidyl ester
Dothiepin HCl
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 > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
5-Bromo-2-((tert-Butyldimethylsilyloxy)methyl)-3-methoxypyridine
2-AMINO-BENZOIC ACID 2-BIPHENYL-4-YL-2-OXO-ETHYL ESTER
2-(2-METHOXY-PHENYL)-6-(4-METHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE
2-(3-METHOXY-PHENYL)-6-(4-METHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE
SB 202190
D004791 - Enzyme Inhibitors
tert-butyl N-[3-bromo-1-(3-fluorophenyl)propyl]carbamate
tert-butyl N-[3-bromo-1-(4-fluorophenyl)propyl]carbamate
6-(3-ACETYL-4-HYDROXY-5-OXO-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOIC ACID
Glymidine sodium
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
5-(2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
2-(TETRAHYDRO-FURAN-2-YL)-N-(3-TRIFLUOROMETHYL-PHENYL)-SUCCINAMIC ACID
2-(2-FLUOROACETAMIDO)-5-NITRO-N-(O-TOLYL)BENZAMIDE
Protokylol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl trifluoromethanesulfonate
[4-(4-chloro-phenyl)-piperazin-1-yl]-pyridin-3-yl-acetic acid
tert-butyl N-[3-bromo-1-(2-fluorophenyl)propyl]carbamate
3-(4-CHLORO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one
TERT-BUTYL(R)-(+)-4-FORMYL-2,2-DIMETHYL-3-OXAZOLIDINECARBOXYLATE
4-chloro-7-methoxy-5-[(1-methyl-4-piperidyl)oxy]quinoline-3-carbo nitrile
norfluoxetine hydrochloride
Norfluoxetine hydrochloride is an active N-demethylated metabolite of Fluoxetine. Fluoxetine is a selective serotonin (5-HT) reuptake inhibitor that is metabolized to Norfluoxetine hydrochloride by cytochrome P450 (CYP) 2D6, CYP2C19, and CYP3A4. Norfluoxetine hydrochloride inhibits 5-HT uptake and inhibits CaV3.3 T current (IC50 = 5 μM). Norfluoxetine hydrochloride has anticonvulsant activity[1][2][3][4].
1-Benzyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
5-(benzyloxy)-8-(2-chloroacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Methyl 2-(2-(methoxycarbonyl)phenoxy)-5-nitrobenzoate
tert-butyl 5-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
(1.ALPHA.,3A.ALPHA.,6A.ALPHA.)-HEXAHYDRO-4-OXO-CYCLOPENTA[C]PYRROLE-1,2(1H)-DICARBOXYLIC ACID-1-ETHYL2-(PHENYLMETHYL) ESTER
tert-butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate
1-Benzhydryl-3-methanesulfonyloxy-3-methylazetidine
azanium,1,2-bis(ethenyl)benzene,2-ethenylbenzenesulfonate
dimethyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4-Nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine
1-ethenyl-3-methylimidazol-3-ium,1-ethenylpyrrolidin-2-one,methyl sulfate
N-cyclopentyl-2-methyl-5-(4-methylsulfonylphenyl)pyrimidin-4-amine
(+-)-Benzyloxycarbonyl-alpha-phosphonoglycinetrimethylester
(2Z)-2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-[(4S)-4-phenyl-1,3-oxazolidin-2-ylidene]acetonitrile
2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT
4-{5-[(2-Chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}butanoic acid hydrochloride (1:1)
(Z)-N-[(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-L-valine
6-benzyloxy-8-(2-chloro-acetyl)-4H-benzo[1,4]oxazin-3-one
N-(3-CHLOROPHENYL)-2-(5-(3-FLUOROPHENYL)-1,2,4-OXADIAZOL-3-YL)ACETAMIDE
(R)-8-(Diphenylphosphino)-1,2,3,4-tetrahydronaphthalen-1-amine
[4-(4-chloro-phenyl)-piperazin-1-yl]-pyridin-4-yl-acetic acid
(R)-3-PHENYL-3-(4-TRIFLUOROMETHYL-PHENOXY)-PROPYLAMINE HYDROCHLORIDE
diethyl 2-[[4-(trifluoromethyl)anilino]methylidene]propanedioate
Aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
2-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-YL)amino]ethanol
Zonampanel
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant C26170 - Protective Agent > C1509 - Neuroprotective Agent Zonampanel (YM 872) is a selective antagonist of the glutamate receptor subtype, α-amino-3-hydroxy-5-methylisoxazole-4-propionic acid (AMPA) receptor.
2-Chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoic acid
(S)-2-Amino-3-benzylthio-N-(4-nitrophenyl)propionamide
2-Methyl-1,1,4-trioxo-N-(2-pyridinyl)-3H-1$l^{6},2-benzothiazine-3-carboxamide
Glypinamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamide
Carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester
(E)-3-(3-(N-(2-hydroxyethyl)sulfamoyl)-4,5-dimethoxyphenyl)acrylic acid
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
3-phenyl-4-[[4-(trifluoromethyl)anilino]methylidene]-1H-pyrazol-5-one
2-[(Phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
(5-Hydroxy-6-Methyl-4-{[(3-Oxo-2,3-Dihydro-1,2-Oxazol-4-Yl)amino]methyl}pyridin-3-Yl)methyl Dihydrogen Phosphate
[5-Hydroxy-6-Methyl-4-({[(4e)-3-Oxo-1,2-Oxazolidin-4-Ylidene]amino}methyl)pyridin-3-Yl]methyl Dihydrogen Phosphate
4-{(Z)-[2-[3-(Methylsulfanyl)Propanoyl]-5-Oxo-1-(2-Oxoethyl)-1,5-Dihydro-4h-Imidazol-4-Ylidene]Methyl}Benzenolate
8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D004791 - Enzyme Inhibitors > D000067956 - Adenylyl Cyclase Inhibitors
5'-O-beta-D-Glucosylpyridoxine
(2S,3S)-2-(2,4-Difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Sulochrin(1-)
A phenolate anion that is the conjugate base of sulochrin, obtained by deprotonation of one of the phenolic hydroxy groups; major species at pH 7.3.
4-{[(2R,3R,4S,5R)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]carbamoyl}-2-oxobutanoate
6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol
Sekisanolin
Prothiaden
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
4-(4-chlorophenyl)-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Acetic acid [2-[[(6,6-dimethoxy-3-oxo-1-cyclohexa-1,4-dienyl)amino]-oxomethyl]phenyl] ester
2-[(Z)-(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]-1H-quinazolin-4-one
N-(1-ethyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-4-pyridinecarboxamide
2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
(15R)-9,15-Dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
5-[(1,3-Benzodioxol-5-ylamino)methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione
2-[1-[2-(1-Benzothiophen-5-ylamino)-2-oxoethyl]cyclohexyl]acetic acid
10-Piperidin-1-yl-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]quinazolin-4(1H)-one
N-{2-[(4-methylphenyl)carbamoyl]phenyl}pyridine-3-carboxamide
1-[4-(4-Ethoxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-azepin-7-one
N-[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]-2-furancarboxamide
2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]acetic acid propan-2-yl ester
5-(3-chlorophenyl)-N-(2-propyl-5-tetrazolyl)-2-furancarboxamide
6-(3-methylphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
N-{4-[N-(phenylsulfonyl)ethanehydrazonoyl]phenyl}acetamide
2-Ethoxy-3-pyridinecarboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester
N-[4-methyl-5-[2-(2-pyridinylamino)-4-thiazolyl]-2-thiazolyl]acetamide
2-(3-thiophenyl)acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
5-[(3-Methylphenoxy)methyl]-3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole
5-[[2-Methoxy-4-(4-morpholinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
3-(4-chlorophenyl)-N-cyclopropyl-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide
N-(3-bicyclo[2.2.1]heptanyl)-2-[5-(4-chlorophenyl)-2-tetrazolyl]acetamide
4-[5-(3-Hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-furanyl]benzonitrile
2-[(2Z)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-thiazole-4-carbohydrazide
2-[[(4-Tert-butylphenyl)-oxomethyl]amino]-4-chlorobenzoic acid
2-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
7-ethoxy-3-(2-methoxyethyl)-N-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
1-(4-Chlorophenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol
(9Z)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
6-{Hydroxy[(4-nitrobenzyl)oxy]phosphoryl}hexanoic acid
1-[[4-[(E)-hydroxyiminomethyl]-2-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester
4-[(5Z)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
(3Z)-3-[(10S)-2-chloro-10-oxothioxanthen-9-ylidene]-N,N-dimethylpropan-1-amine
2,5-Dihydroxy-4-(2-hydroxyphenyl)-5-(methylamino)-3-phenylpentanoic acid
(9E)-7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-1-ol
3,4-Bis(methoxycarbonyl)-2-trimethylsilyl-5-phenylpyrrole
1-(Chloromethyl(para-tolyl)silyl)-2-(methyl(para-tolyl)silyl)ethane
Nitroaspirin
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase 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 D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
Didesethylflurazepam
A primary amino compound resulting from the dealkylation of both ethyl groups of the anti-insomnia drug flurazepam. It is the major metabolite of flurazepam.
N-Acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists
1-cyclopropyl-2-(2-fluorophenyl)-2-{2-hydroxy-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
GAC0001E5
GAC0001E5 is an LXR inverse agonist. GAC0001E5 has antiproliferative activity and can be used in cancer research[1].
Sirtuin-1 inhibitor 1
Sirtuin-1 inhibitor 1 (Compound 8) is an inhibitor of Sirtuin-1 that plays important roles in obesity-induced diabetes and aging-related diseases[1].
SKF-83566
SKF-83566 is a potent,?blood-brain permeable and orally active D1-like dopamine receptor (D1DR)?antagonist and a weaker competitive antagonist at the vascular 5-HT2?receptor (Ki=11 nM)[1][3]. SKF-83566 is a competitive DAT (dopamine transporter) inhibitor with an IC50?of 5.7 μM[2]. SKF-83566 also shows selective inhibition for adenylyl cyclase 2 (AC2) over AC1 and AC5 in the isolated rabbit thoracic aorta[4]. SKF-83566 can be used for research of parkinson’s disease and nicotine craving alleviation[5].
SW157765
SW157765 is a selective non-canonical glucose transporter GLUT8 (SLC2A8) inhibitor. KRAS/KEAP1 double mutant NSCLC cells are selectively sensitive to the SW157765, due to the convergent consequences of dual KRAS and NRF2 modulation of metabolic and xenobiotic gene regulatory programs[1][2].
(1s,13s,16r,18s)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-13-ol
2,6-dimethyl-8-(1,4,6-trihydroxy-3h-isoindol-5-yl)octa-2,6-dienoic acid
(2z,4z)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid
(3as)-6-hydroxy-1-(1h-indol-3-yl)-3ah,4h-naphtho[2,1-b]furan-2,5-dione
(1s,13s,15r,19r)-19-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-15-yl acetate
9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
11-hydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,10,12-tetraen-2-one
(11s,12s,15s)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁵.0¹⁵,¹⁹]henicosa-2,4(8),9-trien-12-ol
5-hydroxy-4,11-dimethoxy-16-methyl-9-oxa-16-azatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-2(7),3,5,12-tetraen-8-one
1-chloro-n-[(1e,6r,10r)-6,10-dihydroxy-11-methyl-3,7-dimethylidenedodeca-1,11-dien-1-yl]methanecarbonimidoyl chloride
10,11,12,13-tetrahydroxy-11-(hydroxymethyl)-6-imino-3-oxa-5,7-diazatetracyclo[7.4.0.0¹,⁴.0⁴,⁸]tridecane-2-carboxylic acid
(1s,11s,13s,15s,18s)-11,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
(1r,13r,15r,18s)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-ol
1,6-dihydroxy-2,3,5-trimethoxy-10-methylacridin-9-one
11-hydroxycephalotaxine
{"Ingredient_id": "HBIN000440","Ingredient_name": "11-hydroxycephalotaxine","Alias": "NA","Ingredient_formula": "C18H21NO5","Ingredient_Smile": "COC1=CC23CCCN2CC(C4=CC5=C(C=C4C3C1O)OCO5)O","Ingredient_weight": "331.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9900","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "285343","DrugBank_id": "NA"}
