Exact Mass: 401.1326594
Exact Mass Matches: 401.1326594
Found 294 metabolites which its exact mass value is equals to given mass value 401.1326594,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxacillin
C19H19N3O5S (401.10453640000003)
Oxacillin is only found in individuals that have used or taken this drug. It is an antibiotic similar to flucloxacillin used in resistant staphylococci infections. [PubChem]By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, Oxacillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Oxacillin interferes with an autolysin inhibitor. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3207
Moxifloxacin
Moxifloxacin is only found in individuals that have used or taken this drug. It is a synthetic fluoroquinolone antibiotic agent. Bayer AG developed the drug (initially called BAY 12-8039) and it is marketed worldwide (as the hydrochloride) under the brand name Avelox (in some countries also Avalox) for oral treatment.The bactericidal action of moxifloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV. DNA gyrase is an essential enzyme that is involved in the replication, transcription and repair of bacterial DNA. Topoisomerase IV is an enzyme known to play a key role in the partitioning of the chromosomal DNA during bacterial cell division. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-[4-[1-[2-(6-Methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
C21H27N3O3S (401.1773032000001)
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Acalisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Margrapine A
Margrapine A is found in citrus. Margrapine A is an alkaloid from roots of Marsh grapefruit (Citrus paradisi
2-(1-carboxy-2-hydroxypropyl)-4-{[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-3,4-dihydro-2h-pyrrole-5-carboxylic acid
Dda-tetracycline
C20H19NO8 (401.11106140000004)
3-Quinolinecarboxylic acid, 7-((3R)-3-(1-aminocyclopropyl)-1-pyrrolidinyl)-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-8-methoxy-4-oxo-
Flavopiridol
C21H20ClNO5 (401.1029940000001)
Ghrelin agonist HM01
Ipsapirone
C19H23N5O3S (401.15215280000007)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Ipsapirone (TVX Q 7821) is an anxiolytic compound and a 5-HT1A receptor partial agonist. Ipsapirone (TVX Q 7821) also exhibits 5-HT1A receptor antagonistic effect, and only at high doses it can also produce an inhibitory effect on 5-HT2 and the α1-adrenergic function[1][2].
Rilmakalim
C21H23NO5S (401.12968680000006)
Setoperone
Voreloxin
C18H19N5O4S (401.11576940000003)
Zabofloxacin
C19H20FN5O4 (401.14992520000004)
N-(4-Nitroanilino)-N-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)methanethioamide
SAR115740
CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5063; ORIGINAL_PRECURSOR_SCAN_NO 5061 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5071; ORIGINAL_PRECURSOR_SCAN_NO 5068 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5038; ORIGINAL_PRECURSOR_SCAN_NO 5036 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5069; ORIGINAL_PRECURSOR_SCAN_NO 5067 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5072; ORIGINAL_PRECURSOR_SCAN_NO 5070 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5063; ORIGINAL_PRECURSOR_SCAN_NO 5059 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9533; ORIGINAL_PRECURSOR_SCAN_NO 9531 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9575; ORIGINAL_PRECURSOR_SCAN_NO 9573 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; 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 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9621; ORIGINAL_PRECURSOR_SCAN_NO 9618 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9628; ORIGINAL_PRECURSOR_SCAN_NO 9625 CONFIDENCE standard compound; INTERNAL_ID 509; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9642; ORIGINAL_PRECURSOR_SCAN_NO 9639
3-(4-Benzylpiperazino)-2-[(4-chlorophenyl)sulfonyl]acrylonitrile
C20H20ClN3O2S (401.09646900000007)
7-butyl-3,4,9-trihydroxy-8-methoxy-5,10-dioxo-5,10-dihydro-benzo[g]quinoline-2-carboxylic acid methyl ester
C20H19NO8 (401.11106140000004)
Xanthiside
C17H23NO8S (401.11443180000003)
Dehydrocorydalinechloride
C22H24ClNO4 (401.13937740000006)
Dehydrocorydaline chloride (13-Methylpalmatine chloride) is an alkaloid that regulates protein expression of Bax, Bcl-2; activates caspase-7, caspase-8, and inactivates PARP[1]. Dehydrocorydaline chloride elevates p38 MAPK activation. Anti-inflammatory and anti-cancer activities[2]. Dehydrocorydaline chloride shows strong anti-malarial effects (IC50?=38 nM), and low cytotoxicity (cell viability?>?90\\%) using P. falciparum 3D7 strain[3]. Dehydrocorydaline chloride (13-Methylpalmatine chloride) is an alkaloid that regulates protein expression of Bax, Bcl-2; activates caspase-7, caspase-8, and inactivates PARP[1]. Dehydrocorydaline chloride elevates p38 MAPK activation. Anti-inflammatory and anti-cancer activities[2]. Dehydrocorydaline chloride shows strong anti-malarial effects (IC50?=38 nM), and low cytotoxicity (cell viability?>?90\%) using P. falciparum 3D7 strain[3].
E-4031
C21H27N3O3S (401.1773032000001)
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Moxifloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Meropenem Metabolite (2H-Pyrrole-2-acetic acid, 5-carboxy-4-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-
Asp Gly Asn Pro
Asp Gly Pro Asn
Asp Asn Gly Pro
Asp Asn Pro Gly
Asp Pro Gly Asn
Asp Pro Asn Gly
Gly Asp Asn Pro
Gly Asp Pro Asn
Gly Asn Asp Pro
Gly Asn Pro Asp
Gly Pro Asp Asn
Gly Pro Asn Asp
Asn Asp Gly Pro
Asn Asp Pro Gly
Asn Gly Asp Pro
Asn Gly Pro Asp
Asn Pro Asp Gly
Asn Pro Gly Asp
Pro Asp Gly Asn
Pro Asp Asn Gly
Pro Gly Asp Asn
Pro Gly Asn Asp
Pro Asn Asp Gly
Pro Asn Gly Asp
Margrapine A
N-[3-Cyano-7-(cyclopropylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-b ]pyridin-2-yl]-1-naphthamide
C23H19N3O2S (401.11979140000005)
Ethyl-2-[[(2-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
C23H19N3O4 (401.13754940000007)
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methylphenyl)propanoic acid
C25H23NO4 (401.16269980000004)
N-Fmoc-erythro-DL-beta-methylphenylalanine
C25H23NO4 (401.16269980000004)
S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate
C21H23NO5S (401.12968680000006)
fmoc-(r)-3-amino-3-(2-methyl-phenyl)-propionic acid
C25H23NO4 (401.16269980000004)
fmoc-(r)-3-amino-3-(3-methyl-phenyl)-propionic acid
C25H23NO4 (401.16269980000004)
benzyl N-[1-hydroxy-1-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-3-oxopropan-2-yl]carbamate
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-3-ylpropan-1-amine,oxalic acid
C21H23NO5S (401.12968680000006)
TRIETHYL (5-BENZOYLPYRROL-2-YL)METHANETRICARBOXYLATE
Alvocidib
C21H20ClNO5 (401.1029940000001)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D006133 - Growth Substances > D006131 - Growth Inhibitors D000970 - Antineoplastic Agents
Oxyphenisatin acetate
C24H19NO5 (401.12631640000006)
C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D005765 - Gastrointestinal Agents > D002400 - Cathartics
(S)-4-(DINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)MORPHOLINE
C24H20NO3P (401.11807400000004)
Asenapine Maleate
C21H20ClNO5 (401.1029940000001)
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 > C29710 - Antipsychotic Agent Asenapine maleate is a 5-HT (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) and D2 antagonist with Ki values of 0.03-4.0 nM, 1.3nM, respectively, and an antipsychotic.
Fominoben
C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
Setoperone
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
5-METHOXY-6-METHYL-3-((3-METHYLCYCLOHEXYL)OXY)-N-(2H-TETRAZOL-5-YL)BENZO[B]THIOPHENE-2-CARBOXAMIDE
C19H23N5O3S (401.15215280000007)
[2-[(2-Aminophenyl)thio]phenyl][4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]methanone
C21H27N3O3S (401.1773032000001)
[(8Z)-8-[(4-amino-2-nitrophenyl)hydrazinylidene]-7-oxonaphthalen-2-yl]-trimethylazanium,chloride
C19H20ClN5O3 (401.1254600000001)
Fmoc-4-(4-aminophenyl)butanoic acid
C25H23NO4 (401.16269980000004)
N-Benzoxycarbonyl-5-(methylsulfonyloxy)-L-norvaline, tert-butyl ester
ETHYL 8-BENZYL-5-HYDROXY-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
C23H19N3O4 (401.13754940000007)
Voreloxin
C18H19N5O4S (401.11576940000003)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents
pipamazine
C21H24ClN3OS (401.13285240000005)
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent
fmoc-(s)-3-amino-3-(3-methyl-phenyl)-propionic acid
C25H23NO4 (401.16269980000004)
4-[(3-chlorophenyl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
3-(9 H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-4-PHENYL-BUTYRIC ACID
C25H23NO4 (401.16269980000004)
ethyl 2-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxylate
C17H18F3N3O3S (401.10209140000006)
8-((4-AMINO-2-NITROPHENYL)DIAZENYL)-7-HYDROXY-N,N,N-TRIMETHYLNAPHTHALEN-2-AMINIUM CHLORIDE
C19H20ClN5O3 (401.1254600000001)
TNP 470
C19H28ClNO6 (401.16050580000007)
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C2143 - Endothelial Cell Inhibitor D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D006133 - Growth Substances > D006131 - Growth Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
(R)-3-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-2-BENZYLPROPANOIC ACID
C25H23NO4 (401.16269980000004)
(4R,5S)-5-[(1S,2R)-1-Carboxy-2-hydroxypropyl]-3-{[(3S,5S)-5-(dimethylcarbamoyl)-3-pyrrolidinyl]sulfanyl}-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
1-cyclopropyl-6-fluoro-1,4-dihydro-7-((4aR,7aS)-octahydropyrrolo [3,4-b]pyridin-6-yl)-8-Methoxy-4-oxoquinoline-3-carboxylic acid
N-D-Biotinyl-7-amino-4-methylcoumarin
C20H23N3O4S (401.14091980000006)
Copper(2+) bis[3-(3-ethylcyclopentyl)propanoate]
C20H34CuO4 (401.17529540000004)
fmoc-(s)-3-amino-3-(4-methyl-phenyl)-propionic acid
C25H23NO4 (401.16269980000004)
fmoc-(s)-3-amino-3-(2-methyl-phenyl)-propionic acid
C25H23NO4 (401.16269980000004)
fmoc-(r)-3-amino-3-(4-methyl-phenyl)-propionic acid
C25H23NO4 (401.16269980000004)
5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole maleate
C21H20ClNO5 (401.1029940000001)
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
Zamicastat
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
(E)-1-cyclopropyl-6-fluoro-7-(8-(methoxyimino)-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
C19H20FN5O4 (401.14992520000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-
C20H19NO8 (401.11106140000004)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione
C18H19N5O2S2 (401.09801139999996)
N-(4-{[2-(diphenylacetyl)hydrazino]carbonyl}phenyl)propanamide
1,1-Bis(4-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]ethanol
7-ethoxy-3-[5-(2-furanyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1H-quinolin-2-one
C19H19N3O5S (401.10453640000003)
N-[6-amino-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide
C19H23N5O3S (401.15215280000007)
2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-prop-2-enyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
2-(4-Fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
C23H16FN3O3 (401.11756379999997)
(3r,4s)-1-[6-(6-Methoxypyridin-3-Yl)pyrimidin-4-Yl]-4-(2,4,5-Trifluorophenyl)pyrrolidin-3-Amine
6,7-Dimethoxy-4-[(3r)-3-(2-Naphthyloxy)pyrrolidin-1-Yl]quinazoline
2-{1-[2-(2-Amino-thiazol-4-YL)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
3,3-Dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C19H19N3O5S (401.10453640000003)
[5-(2-Chlorophenyl)-1-pentylpyrrol-3-yl]-naphthalen-1-ylmethanone
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
C21H27N3O3S (401.1773032000001)
N-[3-(6-Phenyl-3H-imidazo[4,5-b]pyridine-2-yl)-4-fluorophenyl]pyrrolidine-1-carboxamide
3,5-Dioxo-6-[4,5,7-trihydroxy-3-(3-oxobutanoyl)naphthalen-2-yl]hexanoate
C20H17O9- (401.08725319999996)
4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinolin-2-one
4-fluoro-N-[4-[[[2-(methylamino)-4-quinazolinyl]amino]methyl]phenyl]benzamide
4-[4-[(2-Oxo-1,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]benzoic acid
C19H19N3O5S (401.10453640000003)
1-[3-[(7-Cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-methoxypropyl)thiourea
C19H23N5O3S (401.15215280000007)
N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
C23H19N3O4 (401.13754940000007)
4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamide
C21H24ClN3OS (401.13285240000005)
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]-1-piperidinecarboxamide
C20H23N3O4S (401.14091980000006)
(5S)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
(3S)-versiconol acetate(1-)
C20H17O9- (401.08725319999996)
An optically active form of versiconol acetate(1-) having 3S-configuration.
galanthamine Trifluoroacetic acid
C19H22F3NO5 (401.14499980000005)
A natural product found in Crinum asiaticum var. sinicum.
N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
C20H20ClN3O4 (401.1142270000001)
N-(1,3-benzothiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
2-[(7-methyl-4-oxo-3-phenyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]acetic acid methyl ester
4-[7-(2-Methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-8-purinyl]benzonitrile
C22H19N5O3 (401.1487824000001)
2-[(2-cyanophenyl)thio]-N-[4-[dimethylamino(oxo)methyl]phenyl]benzamide
C23H19N3O2S (401.11979140000005)
N-[4-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]phenyl]acetamide
C20H23N3O4S (401.14091980000006)
2-(1,3-Diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone
C23H19N3O2S (401.11979140000005)
N-{[(4-ethoxy-2-nitrophenyl)amino]carbonothioyl}-3-(4-methoxyphenyl)acrylamide
C19H19N3O5S (401.10453640000003)
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
C19H19N3O5S (401.10453640000003)
ethyl N-[4-[(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]carbamate
2-(2-methoxyphenyl)-N-[(3-methyl-2-thienyl)methylene]-4-quinolinecarbohydrazide
C23H19N3O2S (401.11979140000005)
4-[2-[1-(4-Methoxyphenyl)sulfonyl-2-benzimidazolyl]ethyl]morpholine
C20H23N3O4S (401.14091980000006)
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenylurea
N-[2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-methoxybenzohydrazide
C18H19N5O4S (401.11576940000003)
5-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
C23H19N3O4 (401.13754940000007)
hamayne Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
methyl 4-[[4-[(E)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
C20H23N3O4S (401.14091980000006)
3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide
C21H27N3O3S (401.1773032000001)
(1R,5S)-7-[4-[(E)-prop-1-enyl]phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
4-Pyridinecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C22H15N3O3S (401.0834080000001)
N-[(2S,3R,6R)-6-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3S,6S)-6-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3S,6R)-6-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
[(3aR,4R,9bR)-8-(2-phenylethynyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C24H23N3OS (401.15617480000003)
N-[(2S,3R,6S)-6-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3S,6R)-6-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3S,6S)-6-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3R,6R)-6-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3R,6S)-6-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
[(3aS,4S,9bS)-8-(2-phenylethynyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C24H23N3OS (401.15617480000003)
(1S,5R)-7-[4-[(E)-prop-1-enyl]phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
C21H15N5O4 (401.11239900000004)
Versiconol acetate(1-)
C20H17O9- (401.08725319999996)
An organic anion that is the conjugate base of versiconol acetate, obtained by selective deprotonation of the 2-hydroxy group.
5-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-1-ethylpyrrolidin-2-one
(2Z)-2-[(2-chloro-1-phenylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole
oxacillin
C19H19N3O5S (401.10453640000003)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Ipsapirone
C19H23N5O3S (401.15215280000007)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Ipsapirone (TVX Q 7821) is an anxiolytic compound and a 5-HT1A receptor partial agonist. Ipsapirone (TVX Q 7821) also exhibits 5-HT1A receptor antagonistic effect, and only at high doses it can also produce an inhibitory effect on 5-HT2 and the α1-adrenergic function[1][2].
ABT-724 (trihydrochloride)
C17H22Cl3N5 (401.09407020000003)
ABT-724 trihydrochloride is a potent and highly selective dopamine D4 receptor agonist with an EC50 of 12.4 nM for human dopamine D4 receptor. ABT-724 trihydrochloride is a potent partial agonist at the rat D4 (EC50 of 14.3 nM) and the ferret D4 receptor (EC50 of 23.2 nM), and has no effect on dopamine D1, D2, D3, or D5 receptors. ABT-724 trihydrochloride could be useful for the treatment of erectile dysfunction and has favorable side-effect profile[1].
Copper tripeptide
Copper tripeptide (GHK-Cu) is a tripeptide. During wound healing, copper tripeptide may be freed from existing extracellular proteins via proteolysis and serves as a chemoattractant for inflammatory and endothelial cells. Copper tripeptide has been shown to increase messenger RNA production for collagen, elastin, proteoglycans, and glycosaminoglycans in fibroblasts. Copper tripeptide is a natural modulator of multiple cllular pathways in skin regeneration[1]. Copper tripeptide (GHK-Cu) is a tripeptide. During wound healing, copper tripeptide may be freed from existing extracellular proteins via proteolysis and serves as a chemoattractant for inflammatory and endothelial cells. Copper tripeptide has been shown to increase messenger RNA production for collagen, elastin, proteoglycans, and glycosaminoglycans in fibroblasts. Copper tripeptide is a natural modulator of multiple cllular pathways in skin regeneration[1].
N-Fmoc-N-benzyl-L-alanine
C25H23NO4 (401.16269980000004)
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-benzyl-L-alanine is an alanine derivative[1].
PRX-08066
C19H17ClFN5S (401.08771640000003)
PRX-08066 is a selective 5-hydroxytryptamine receptor 2B (5-HT2BR, IC50= 3.4 nM) antagonist that causes selective vasodilation of pulmonary arteries. IC50 value: 3.4 nM [1] Target: HT2B receptor in vitro: PRX-08066 inhibits 5-HT-induced mitogen-activated protein kinase activation with IC50 of 12 nM and markedly reduces thymidine incorporation with IC50 of 3 nM in Chinese hamster ovary cells expressing the human 5-HT2BR, which suggests that PRX-08066 can potentially inhibit the pathologic 5-HT-induced vascular muscularization associated with PAH [1]. PRX-08066 inhibits cell proliferation with IC50 of 0.46 nM and with a maximum inhibition of 20\% and 5-HT secretion with IC50 of 6.9 nM with a maximum inhibition of 30\% in the 5-HT(2B) expressing SI-NET cell line, KRJ-I. PRX-08066 inhibits isoproterenol-stimulated 5-HT release with IC50 of 1.25 nM and a maximum inhibition of 60\% in NCI-H720 cells. PRX-08066 (0.5 nM) significantly inhibits ERK phosphorylation in KRJ-I cells. PRX-08066 inhibits TGFβ1, CTGF and FGF2 transcription and secretion in KRJ-I cells. PRX-08066 decreases level of transcripts for Ki67 (84\%) as well as Ki67 protein (36.8\%) associated with an increase in caspase 3 transcript levels in KRJ-I cells. PRX-08066 decreases level of transcripts of TGFβ1, FGF2 and TPH1 in KRJ-I cells. PRX-08066 significantly increases the number of dead cells (34\%) compared with untreated controls in KRJ-I cells. PRX-08066 causes a significant increase in dead/caspase 3 positive cells (76\%) and caspase 3 activity (52\%) in HEK293 cells [2]. in vivo: PRX-08066 (100 mg/kg) treated groups demonstrates less right ventricular hypertrophy and septal flattening than the monocrotaline control group in rats. PRX-08066 significantly reduces peak pulmonary artery pressure at 50 mg/kg and 100 mg/kg compared with monocrotaline control rats. PRX-08066 also significantly reduces right ventricle (RV)/body weight and RV/left ventricle + septum, compared with MCT-treated rats. PRX-08066 significantly attenuates the elevation in pulmonary artery pressure and RV hypertrophy and maintains cardiac function. PRX-08066 significantly reduces the hypoxia-dependent increase in right ventricular systolic pressure in both rats and mice without affecting the systemic mean arterial pressure in the animals [1]. PRX-08066 (100 mg/kg) significantly inhibits both right ventricular systolic pressure and right ventricular/left ventricular +septum weight elevations in rats. PRX-08066 (30 mg/kg) inhibits right ventricular systolic pressure and monocrotaline-induced ERK phosphorylation in whole lung homogenates in rats [3].
SHEN26
SHEN26 (ATY014) is a potent and orally active RdRp inhibitor, with an IC50 for SARS-CoV-2 is 1.36 μM. SHEN26 is a 5’-cyclohexanecarboxylate derivative of GS-441524 (HY-103586). SHEN26 inhibits viral nucleic acid synthesis to achieve antiviral effects. SHEN26 can be used for the research of coronavirus disease 2019 (COVID-19)[1][2].
Sonepiprazole
C21H27N3O3S (401.1773032000001)
Sonepiprazole (PNU-101387G) is a selective D4 dopamine antagonist with Kis of 3.6, 10.1, 5147, and 7430 nM for rD4-Dopamine, hD4.2-Dopamine, rD2-Dopamine, and Histamine-H1 receptors, respectively[1].
2-hydroxy-n-[(10s)-5-hydroxy-3,4,14-trimethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl]ethanimidic acid
4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),13,15(19)-trien-9-yl 3-oxobutanoate
n-(1,3,3,4-tetrachloropentadec-1-yn-4-yl)ethanimidic acid
4-[6-hydroxy-1-(2-hydroxy-3-methoxy-5-methylphenyl)-4-methoxy-3-oxo-1h-isoindol-2-yl]butanoic acid
(3r,4s,5s,6r)-5-methoxy-4-[(3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl n-(2-chloro-1-hydroxyethylidene)carbamate
C19H28ClNO6 (401.16050580000007)
(2r,10s,12s)-13-hydroxy-10-(2-methylbut-3-en-2-yl)-21-oxo-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaene-3-carbaldehyde
2-hydroxy-n-[(10s)-4-hydroxy-3,5,14-trimethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]ethanimidic acid
6-({5-carboxy-1-hydroxy-5-[(1-hydroxyethylidene)amino]pentylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C16H23N3O7S (401.12566480000004)
5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl n-(2-chloro-1-hydroxyethylidene)carbamate
C19H28ClNO6 (401.16050580000007)
7-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-3-hydroxy-2,4,6-trimethyl-7-oxohept-5-enoic acid
n-[(8r)-1,1,15,15-tetrachloropentadec-3-yn-8-yl]ethanimidic acid
6-({[2-(c-hydroxycarbonimidoyl)phenyl]amino}methyl)-9-methoxyphenazine-1-carboximidic acid
C22H19N5O3 (401.1487824000001)
2-hydroxy-n-{5-hydroxy-3,4,14-trimethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}ethanimidic acid
3-hydroxy-8,8-dimethyl-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h-1,4-benzothiazin-5-one
C17H23NO8S (401.11443180000003)
(2s,3r,7r,9s,10r)-4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),13,15(19)-trien-9-yl 3-oxobutanoate
n-(1,1,15,15-tetrachloropentadec-3-yn-8-yl)ethanimidic acid
2-hydroxy-n-{4-hydroxy-3,5,14-trimethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}ethanimidic acid
methyl 4,5-dimethoxy-2-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)oxy]benzoate
13-hydroxy-10-(2-methylbut-3-en-2-yl)-21-oxo-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaene-3-carbaldehyde
methyl 2-(2-{10-hydroxy-1,3-dimethyl-9-oxo-2h-cyclohexa[g]isoquinolin-5-yl}diazen-1-yl)benzoate
C23H19N3O4 (401.13754940000007)
3-(2-{7,7-dimethyl-3h-chromeno[6,5-b]pyrrol-1-yl}ethyl)-1-methylquinazoline-2,4-dione
n-[(9r,10r)-9-hydroxy-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]carboximidic acid
(2r,3s,4r,5e)-7-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-3-hydroxy-2,4,6-trimethyl-7-oxohept-5-enoic acid
(2s,6r)-6-({5-carboxy-1-hydroxy-5-[(1-hydroxyethylidene)amino]pentylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C16H23N3O7S (401.12566480000004)
methyl 1,3,4-tris(4-hydroxyphenyl)pyrrole-2-carboxylate
C24H19NO5 (401.12631640000006)
methyl 3,4-dimethoxy-2-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)oxy]benzoate
(2s,5r,6r)-6-({5-carboxy-1-hydroxy-5-[(1-hydroxyethylidene)amino]pentylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C16H23N3O7S (401.12566480000004)
3-hydroxy-8,8-dimethyl-7-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2h-1,4-benzothiazin-5-one
C17H23NO8S (401.11443180000003)
(2s,5r,6r)-6-{[(5s)-5-carboxy-1-hydroxy-5-[(1-hydroxyethylidene)amino]pentylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C16H23N3O7S (401.12566480000004)