Exact Mass: 401.2009578
Exact Mass Matches: 401.2009578
Found 500 metabolites which its exact mass value is equals to given mass value 401.2009578
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
Evogliptin
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BH - Dipeptidyl peptidase 4 (dpp-4) inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Isoquinoline, 1,2,3,4-tetrahydro-2-(4-amino-6-((4-phenyl-1-piperazinyl)methyl)-s-triazin-2-yl)-
Amperozide
C23H29F2N3O (401.22785680000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Amperozide is an atypical antipsychotic that acts as an antagonist of the 5-HT2 receptor with a Ki value of 26 nM. Amperozide has a low affinity for D2 receptors[1].
artemisone
C19H31NO6S (401.18719860000004)
3-Quinolinecarboxylic acid, 7-((3R)-3-(1-aminocyclopropyl)-1-pyrrolidinyl)-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-8-methoxy-4-oxo-
Emapunil
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Evogliptin
[2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl] dihydrogen phosphate
C20H36NO5P (401.23309760000006)
Ghrelin agonist HM01
N-Allm
C19H35N3O4S (401.2348150000001)
1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone
Risdiplam
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System M - Musculo-skeletal system
(+)-trans-Erioaustralasine hydrate
C22H27NO6 (401.18382820000005)
3-(1-(cyclohexylmethyl)-1h-indazole-3-carboxamido)-2,2-dimethylsuccinic acid
C21H27N3O5 (401.19506120000005)
(2R,3S,4aS,7R,8R,8aS)-2,3,4-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2-7,8-dihydro-3H-furo[2,3-e]isoindole]-6-one
1-[2-(Hydroxymethyl)-3,4-dimethoxybenzyl]-2-methyl-1,2,3,4-tetrahydro-6,7-(methylenebisoxy)-8-methoxyisoquinoline
C22H27NO6 (401.18382820000005)
1-Methoxy-3-[3,5-dimethyl-6-[1-(hydroxymethyl)propyl]tetrahydro-2H-pyran-2-yl]-4-hydroxy-5-phenyl-1,2-dihydropyridine-2-one
Hexanoic acid, 2-((phenylamino)carbonyl)-, 1,2-diphenylhydrazide
1-Methoxy-3-[3,5-dimethyl-6-(1-methyl-3-hydroxypropyl)tetrahydro-2H-pyran-2-yl]-4-hydroxy-5-phenylpyridine-2(1H)-one
alpha,beta-Dihydro-beta-lumicolchicin|Lumicolchicin I
C22H27NO6 (401.18382820000005)
C23H31NO5_(2R,2R,4aS,6S,7R,8aS)-4,6,7-Trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,7,8,8,8a-decahydro-2H-spiro[furo[2,3-e]isoindole-2,1-naphthalen]-6(3H)-one
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
Ala Ala Ile Gln
Ala Ala Leu Gln
Ala Ala Gln Ile
Ala Ala Gln Leu
Ala Gly Arg Val
Ala Gly Val Arg
Ala Ile Ala Gln
Ala Ile Gln Ala
Ala Lys Pro Ser
Ala Lys Ser Pro
Ala Leu Ala Gln
Ala Leu Gln Ala
Ala Asn Pro Thr
Ala Asn Thr Pro
Ala Asn Val Val
Ala Pro Lys Ser
Ala Pro Asn Thr
Ala Pro Gln Ser
Ala Pro Ser Lys
Ala Pro Ser Gln
Ala Pro Thr Asn
Ala Gln Ala Ile
Ala Gln Ala Leu
Ala Gln Ile Ala
Ala Gln Leu Ala
Ala Gln Pro Ser
Ala Gln Ser Pro
Ala Arg Gly Val
Ala Arg Val Gly
Ala Ser Lys Pro
Ala Ser Pro Lys
Ala Ser Pro Gln
Ala Ser Gln Pro
Ala Thr Asn Pro
Ala Thr Pro Asn
Ala Val Gly Arg
Ala Val Asn Val
Ala Val Arg Gly
Ala Val Val Asn
Gly Ala Arg Val
Gly Ala Val Arg
Gly Gly Ile Arg
Gly Gly Leu Arg
Gly Gly Arg Ile
Gly Gly Arg Leu
Gly Ile Gly Arg
Gly Ile Asn Val
Gly Ile Arg Gly
Gly Ile Val Asn
Gly Lys Pro Thr
Gly Lys Thr Pro
Gly Leu Gly Arg
Gly Leu Asn Val
Gly Leu Arg Gly
Gly Leu Val Asn
Gly Asn Ile Val
Gly Asn Leu Val
Gly Asn Val Ile
Gly Asn Val Leu
Gly Pro Lys Thr
Gly Pro Gln Thr
Gly Pro Thr Lys
Gly Pro Thr Gln
Gly Gln Pro Thr
Gly Gln Thr Pro
Gly Gln Val Val
Gly Arg Ala Val
Gly Arg Gly Ile
Gly Arg Gly Leu
Gly Arg Ile Gly
Gly Arg Leu Gly
Gly Arg Val Ala
Gly Thr Lys Pro
Gly Thr Pro Lys
Gly Thr Pro Gln
Gly Thr Gln Pro
Gly Val Ala Arg
Gly Val Ile Asn
Gly Val Leu Asn
Gly Val Asn Ile
Gly Val Asn Leu
Gly Val Gln Val
Gly Val Arg Ala
Gly Val Val Gln
Ile Ala Ala Gln
Ile Ala Gln Ala
Ile Gly Gly Arg
Ile Gly Asn Val
Ile Gly Arg Gly
Ile Gly Val Asn
Ile Asn Gly Val
Ile Asn Val Gly
Ile Gln Ala Ala
Ile Arg Gly Gly
Ile Val Gly Asn
Ile Val Asn Gly
Lys Ala Pro Ser
Lys Ala Ser Pro
Lys Gly Pro Thr
Lys Gly Thr Pro
Lys Pro Ala Ser
Lys Pro Gly Thr
Lys Pro Ser Ala
Lys Pro Thr Gly
Lys Ser Ala Pro
Lys Ser Pro Ala
Lys Thr Gly Pro
Lys Thr Pro Gly
Leu Ala Ala Gln
Leu Ala Gln Ala
Leu Gly Gly Arg
Leu Gly Asn Val
Leu Gly Arg Gly
Leu Gly Val Asn
Leu Asn Gly Val
Leu Asn Val Gly
Leu Gln Ala Ala
Leu Arg Gly Gly
Leu Val Gly Asn
Leu Val Asn Gly
Asn Ala Pro Thr
Asn Ala Thr Pro
Asn Ala Val Val
Asn Gly Ile Val
Asn Gly Leu Val
Asn Gly Val Ile
Asn Gly Val Leu
Asn Ile Gly Val
Asn Ile Val Gly
Asn Leu Gly Val
Asn Leu Val Gly
Asn Pro Ala Thr
Asn Pro Thr Ala
Asn Thr Ala Pro
Asn Thr Pro Ala
Asn Val Ala Val
Asn Val Gly Ile
Asn Val Gly Leu
Asn Val Ile Gly
Asn Val Leu Gly
Asn Val Val Ala
Pro Ala Lys Ser
Pro Ala Asn Thr
Pro Ala Gln Ser
Pro Ala Ser Lys
Pro Ala Ser Gln
Pro Ala Thr Asn
Pro Gly Lys Thr
Pro Gly Gln Thr
Pro Gly Thr Lys
Pro Gly Thr Gln
Pro Lys Ala Ser
Pro Lys Gly Thr
Pro Lys Ser Ala
Pro Lys Thr Gly
Pro Asn Ala Thr
Pro Asn Thr Ala
Pro Gln Ala Ser
Pro Gln Gly Thr
Pro Gln Ser Ala
Pro Gln Thr Gly
Pro Ser Ala Lys
Pro Ser Ala Gln
Pro Ser Lys Ala
Pro Ser Gln Ala
Pro Thr Ala Asn
Pro Thr Gly Lys
Pro Thr Gly Gln
Pro Thr Lys Gly
Pro Thr Asn Ala
Pro Thr Gln Gly
Gln Ala Ala Ile
Gln Ala Ala Leu
Gln Ala Ile Ala
Gln Ala Leu Ala
Gln Ala Pro Ser
Gln Ala Ser Pro
Gln Gly Pro Thr
Gln Gly Thr Pro
Gln Gly Val Val
Gln Ile Ala Ala
Gln Leu Ala Ala
Gln Pro Ala Ser
Gln Pro Gly Thr
Gln Pro Ser Ala
Gln Pro Thr Gly
Gln Ser Ala Pro
Gln Ser Pro Ala
Gln Thr Gly Pro
Gln Thr Pro Gly
Gln Val Gly Val
Gln Val Val Gly
Ser Ala Lys Pro
Ser Ala Pro Lys
Ser Ala Pro Gln
Ser Ala Gln Pro
Ser Lys Ala Pro
Ser Lys Pro Ala
Ser Pro Ala Lys
Ser Pro Ala Gln
Ser Pro Lys Ala
Ser Pro Gln Ala
Ser Gln Ala Pro
Ser Gln Pro Ala
Thr Ala Asn Pro
Thr Ala Pro Asn
Thr Gly Lys Pro
Thr Gly Pro Lys
Thr Gly Pro Gln
Thr Gly Gln Pro
Thr Lys Gly Pro
Thr Lys Pro Gly
Thr Asn Ala Pro
Thr Asn Pro Ala
Thr Pro Ala Asn
Thr Pro Gly Lys
Thr Pro Gly Gln
Thr Pro Lys Gly
Thr Pro Asn Ala
Thr Pro Gln Gly
Thr Gln Gly Pro
Thr Gln Pro Gly
Val Ala Asn Val
Val Ala Val Asn
Val Gly Ile Asn
Val Gly Leu Asn
Val Gly Asn Ile
Val Gly Asn Leu
Val Gly Gln Val
Val Gly Val Gln
Val Ile Gly Asn
Val Ile Asn Gly
Val Leu Gly Asn
Val Leu Asn Gly
Val Asn Ala Val
Val Asn Gly Ile
Val Asn Gly Leu
Val Asn Ile Gly
Val Asn Leu Gly
Val Asn Val Ala
Val Gln Gly Val
Val Gln Val Gly
Val Val Ala Asn
Val Val Gly Gln
Val Val Asn Ala
Val Val Gln Gly
Pyrilamine maleate
C21H27N3O5 (401.19506120000005)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Mepyramine maleate, a first generation antihistamine, is an antagonist of histamine H1 receptor, with Kds of 0.8 nM, 5200 nM and >3000 nM for H1, H2, and H3 receptor, respectively, and a pKd of 9.4 for H1 receptor.
Omecamtiv mecarbil
C20H24FN5O3 (401.18630859999996)
C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent
(4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-dimethyl-4-(1-Methylethyl)-oxazole
C26H28NOP (401.19084080000005)
2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE
C22H27NO6 (401.18382820000005)
[2-[(2-Aminophenyl)thio]phenyl][4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]methanone
C21H27N3O3S (401.1773032000001)
1-tert-Butyl 7-methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1,7-dicarboxylate
(2R)-2-[4-[(4-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-N-cyclohexylpyrrolidine-1-carboxamide
C21H28ClN5O (401.19822680000004)
ALLM (Calpain Inhibitor)
C19H35N3O4S (401.2348150000001)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D007976 - Leupeptins
1-cyclopropyl-6-fluoro-1,4-dihydro-7-((4aR,7aS)-octahydropyrrolo [3,4-b]pyridin-6-yl)-8-Methoxy-4-oxoquinoline-3-carboxylic acid
Copper(2+) bis[3-(3-ethylcyclopentyl)propanoate]
C20H34CuO4 (401.17529540000004)
4-(HYDROXY-DIPHENYL-METHYL)-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
4-(3-(Ethoxycarbonyl)-6,8,8-trimethyl-2-oxo-7,8-dihydro-2H-pyrano[3,2-g]quinolin-9(6H)-yl)butanoic acid
C22H27NO6 (401.18382820000005)
4-(3,4-dihydro-2H-quinolin-1-yl)-6-[(4-phenyl-1-piperazinyl)methyl]-1,3,5-triazin-2-amine
N-(4-{[2-(diphenylacetyl)hydrazino]carbonyl}phenyl)propanamide
N-ethyl-2-imino-10-methyl-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[3,4-c:1,2-f]pyrimidinecarboxamide
2-[3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1-indolyl]-N,N-di(propan-2-yl)acetamide
4-(2-Aminoethoxy)-N-(3-Chloro-5-Piperidin-1-Ylphenyl)-3,5-Dimethylbenzamide
C22H28ClN3O2 (401.18699380000004)
4-(6-{[(4-Methylcyclohexyl)amino]methyl}-1,4-Dihydroindeno[1,2-C]pyrazol-3-Yl)benzoic Acid
6,7-Dimethoxy-4-[(3r)-3-(2-Naphthyloxy)pyrrolidin-1-Yl]quinazoline
6-[Hydroxyimino-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-YL)-methyl]-naphtalene-2-carboxylic acid
Risdiplam
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System M - Musculo-skeletal system
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
Dehydrocholate
C24H33O5- (401.23278680000004)
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Acrichine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
(3Z)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(3R,4R)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione
C22H27NO6 (401.18382820000005)
ALLM
C19H35N3O4S (401.2348150000001)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors
[1-(3-Phenoxypropyl)-4-piperidinyl]-diphenylmethanol
4-fluoro-N-[4-[[[2-(methylamino)-4-quinazolinyl]amino]methyl]phenyl]benzamide
1-ethyl-4-hydroxy-2-oxo-N-(1-oxodecyl)-3-quinolinecarbohydrazide
C22H31N3O4 (401.23144460000003)
3-(4-Methoxyphenyl)-8-(6-methyl-2-phenyl-4-pyrimidinyl)-8-azabicyclo[3.2.1]octan-3-ol
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenylurea
5,6-dimethyl-2-[1-[[1-(phenylmethyl)-5-tetrazolyl]methyl]-4-piperidinyl]-1H-benzimidazole
7-(4-Ethyl-1-piperazinyl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
1-[2-[[(2,3-dihydro-1H-inden-5-ylamino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
C22H31N3O4 (401.23144460000003)
3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide
C21H27N3O3S (401.1773032000001)
Crambescidin 401
C22H31N3O4 (401.23144460000003)
An organic heteropentacyclic guanidine alkaloid isolated from the marine sponge Crambe crambe.
(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane
3-[(3aS,4S,9bR)-1-(2-cyclopropyl-1-oxoethyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
4-[(3aR,4R,9bR)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
(1R,5S)-7-[4-[(E)-prop-1-enyl]phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
(2R,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H31N3O4 (401.23144460000003)
(2R,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H31N3O4 (401.23144460000003)
(2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H31N3O4 (401.23144460000003)
(2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H31N3O4 (401.23144460000003)
2-[(2S,3R,6S)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
C22H31N3O4 (401.23144460000003)
2-[(2S,3S,6R)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
C22H31N3O4 (401.23144460000003)
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
(2R,3S)-2-[(dimethylamino)methyl]-8-(4-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H31N3O4 (401.23144460000003)
(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H31N3O4 (401.23144460000003)
2-[(2S,3R,6R)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
C22H31N3O4 (401.23144460000003)
2-[(2R,3S,6S)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
C22H31N3O4 (401.23144460000003)
2-[(2R,3S,6R)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
C22H31N3O4 (401.23144460000003)
2-[(2R,3R,6S)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
C22H31N3O4 (401.23144460000003)
2-[(2S,3S,6S)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
C22H31N3O4 (401.23144460000003)
2-[(2R,3R,6R)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
C22H31N3O4 (401.23144460000003)
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
1-[(1R,2aS,8bS)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-(dimethylamino)ethanone
C22H25F2N3O2 (401.19147339999995)
3-[(3aR,4S,9bS)-1-(2-cyclopropyl-1-oxoethyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
3-[(3aR,4R,9bS)-1-(2-cyclopropyl-1-oxoethyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
(1S,5R)-7-[4-[(E)-prop-1-enyl]phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
(1R,5S)-N-(4-fluorophenyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
(1R,5S)-N-(4-fluorophenyl)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
3-Furanyl-[4-[5-methyl-2-(4-methylphenyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
Amperozide
C23H29F2N3O (401.22785680000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Amperozide is an atypical antipsychotic that acts as an antagonist of the 5-HT2 receptor with a Ki value of 26 nM. Amperozide has a low affinity for D2 receptors[1].
11-O-demethyl-17-O-deacetylvindolinium(1+)
The conjugate acid of 11-O-demethyl-17-O-deacetylvindoline arising from protonation of the tertiary amino group; major species at pH 7.3.
Caroverine (hydrochloride)
C22H28ClN3O2 (401.18699380000004)
Caroverine (Tinnex) hydrochloride is a potent, competitive and reversible antagonist of NMDA and AMPA glutamate receptor. Caroverine hydrochloride is also an antioxidant and calcium-blocking agent that exhibits vasorelaxant action. Caroverine hydrochloride can be used for the research of inner ear tinnitus[1][2][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].
5-hydroxy-4-(1-hydroxy-4-methyl-6-{1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl}hepta-2,4-dien-1-ylidene)-2h-pyrrol-3-one
C22H27NO6 (401.18382820000005)
methyl (1r,3r,4r,10s,14r,15s,19s)-15,19-dihydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
(1s,12s,14r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3s)-3-(acetyloxy)butanoate
C22H27NO6 (401.18382820000005)
(2s)-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(2e,4e)-1,6,7-trihydroxy-2,4,6-trimethylocta-2,4-dien-1-ylidene]-2h-pyrrol-3-one
C22H27NO6 (401.18382820000005)
(3s,6s)-3-benzyl-6-{[1-(3-methylbut-2-en-1-yl)indol-3-yl]methyl}-3,6-dihydropyrazine-2,5-diol
[2,3-dimethoxy-6-({4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}methyl)phenyl]methanol
C22H27NO6 (401.18382820000005)
(2r,2'r,4'as,5'r,6'r,8'as)-5'-(hydroxymethyl)-2',5',8'a-trimethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6,6'-triol
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2s)-2-{[(2r,3s)-3-[(2s)-butan-2-yl]-1,2-dihydroxy-4-methoxy-4-oxobutylidene]amino}cyclopropyl]propanoic acid
2-(7,8-dihydroxy-4,8-dimethylnon-3-en-1-yl)-2-methyl-6h-chromeno[6,7-c]pyrrole-5,8-diol
methyl 11-{3a,5-dihydroxy-2h,3h,6h,6ah-furo[3,2-b]pyrrol-6-yl}-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
C22H27NO6 (401.18382820000005)
anti-isorhynchophylline n-oxide
{"Ingredient_id": "HBIN016374","Ingredient_name": "anti-isorhynchophylline n-oxide","Alias": "anti-isorhynchophyllinen-oxide","Ingredient_formula": "C22H29N2O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30613;1458","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(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
(2s,3s)-2-[(3e)-5-hydroxy-4-(4-methylpent-3-en-1-yl)pent-3-en-1-yl]-2-methyl-3h,4h,9h-pyrano[2,3-e]isoindole-3,5,7-triol
methyl (1r,3r,4r,14r)-15,19-dihydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
9,10,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl propanoate
(2r,2'r,4'as,6's,7'r,8'as)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6,6',7'-tetrol
(1s,11r,18r)-4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-2(7),3,5,12(17),13,15-hexaen-18-ol
C22H27NO6 (401.18382820000005)
methyl (2e,3e,5e,7e,9e)-11-[(3as,6r,6ar)-3a,5-dihydroxy-2h,3h,6h,6ah-furo[3,2-b]pyrrol-6-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
C22H27NO6 (401.18382820000005)
4-hydroxy-3-[(2r,3r,5s,6s)-6-[(2r)-4-hydroxybutan-2-yl]-3,5-dimethyloxan-2-yl]-1-methoxy-5-phenylpyridin-2-one
2-(7,8-dihydroxy-4,8-dimethylnon-3-en-1-yl)-2-methyl-9h-chromeno[7,8-c]pyrrole-5,7-diol
(4z)-5-hydroxy-4-[(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1r,3r,4s,5s)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene]-2h-pyrrol-3-one
C22H27NO6 (401.18382820000005)
methyl (1r,3r,4r,10s,14r,15s,18s,19s)-15,19-dihydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
(4z)-5-hydroxy-4-[(2e,4e,6r)-1-hydroxy-4-methyl-6-[(1s,3r,4r,5s)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene]-2h-pyrrol-3-one
C22H27NO6 (401.18382820000005)
[(6ar,9r,10s,10ar)-9,10-dihydroxy-6,6,9-trimethyl-11-oxo-6ah,7h,8h,10h,10ah-isochromeno[4,3-c]quinolin-12-yl]methyl acetate
C22H27NO6 (401.18382820000005)
2-[(3z)-7,8-dihydroxy-4,8-dimethylnon-3-en-1-yl]-2-methyl-6h-chromeno[6,7-c]pyrrole-5,8-diol
({5-[(1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl)methyl]-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)acetic acid
5-[(1r,3z,4s,5s,6s,8s,9r,13r)-9-[(1e,3r)-3-hydroxybut-1-en-1-yl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
C22H27NO6 (401.18382820000005)
4-hydroxy-3-[(2r,3r,5s,6s)-6-[(2s)-1-hydroxybutan-2-yl]-3,5-dimethyloxan-2-yl]-1-methoxy-5-phenylpyridin-2-one
4-hydroxy-3-[6-(1-hydroxybutan-2-yl)-3,5-dimethyloxan-2-yl]-1-methoxy-5-phenylpyridin-2-one
2-[(2-amino-1-hydroxypropylidene)amino]-3-(2-{[1,2-dihydroxy-4-methoxy-4-oxo-3-(sec-butyl)butylidene]amino}cyclopropyl)propanoic acid
4-hydroxy-3-[6-(3-hydroxybutan-2-yl)-3,5-dimethyloxan-2-yl]-1-methoxy-5-phenylpyridin-2-one
n-{[(2r,5s,6r)-6-hydroxy-5-(3-hydroxyquinoline-2-amido)oxan-2-yl]methyl}-3-methylbutanimidic acid
C21H27N3O5 (401.19506120000005)
2',5',5',8'a-tetramethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6,6',7'-tetrol
5-[(1s,3z,4s,5s,6r,8s,9r,13r)-9-[(1e,3s)-3-hydroxybut-1-en-1-yl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
C22H27NO6 (401.18382820000005)
(1r,12r)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-(acetyloxy)butanoate
C22H27NO6 (401.18382820000005)
methyl 15,19-dihydroxy-18-(hydroxymethyl)-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icosa-7(20),16-diene-3-carboxylate
5-[(1s,3z,4s,5s,8s,9r)-9-[(1e,3s)-3-hydroxybut-1-en-1-yl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one
C22H27NO6 (401.18382820000005)
5-hydroxy-4-[(6r)-1-hydroxy-4-methyl-6-[(1s,3r,4r,5s)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene]-2h-pyrrol-3-one
C22H27NO6 (401.18382820000005)
4-[(2e,4e,6r)-6-[(1r,5r,6s,7r)-1,6-dimethyl-8,9-dioxaspiro[bicyclo[3.3.1]nonane-2,2'-oxiran]-3-en-7-yl]-4-methylhepta-2,4-dienoyl]-5-hydroxy-1,2-dihydropyrrol-3-one
C22H27NO6 (401.18382820000005)
4,5,15,16,18-pentamethoxy-19-oxa-10-azatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-2(7),3,5,12(17),13,15-hexaene
C22H27NO6 (401.18382820000005)
(4z)-5-hydroxy-4-[(2e,6r)-1-hydroxy-4-methyl-6-[(1s,3r,4r,5s)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene]-2h-pyrrol-3-one
C22H27NO6 (401.18382820000005)
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
4-hydroxy-3-[(2r,3r,5s,6s)-6-[(2r,3s)-3-hydroxybutan-2-yl]-3,5-dimethyloxan-2-yl]-1-methoxy-5-phenylpyridin-2-one
4-hydroxy-3-[6-(4-hydroxybutan-2-yl)-3,5-dimethyloxan-2-yl]-1-methoxy-5-phenylpyridin-2-one
4-[(6r)-6-[(1r,5r,6s,7r)-1,6-dimethyl-8,9-dioxaspiro[bicyclo[3.3.1]nonane-2,2'-oxiran]-3-en-7-yl]-1-hydroxy-4-methylhepta-2,4-dien-1-ylidene]-5-hydroxy-2h-pyrrol-3-one
C22H27NO6 (401.18382820000005)
2-[(3z)-7,8-dihydroxy-4,8-dimethylnon-3-en-1-yl]-2-methyl-9h-chromeno[7,8-c]pyrrole-5,7-diol
5-hydroxy-2-[hydroxy(4-hydroxyphenyl)methyl]-4-(1-hydroxy-2,4,6-trimethylnon-6-en-1-ylidene)-2h-pyrrol-3-one
5'-(hydroxymethyl)-2',5',8'a-trimethyl-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6,6'-triol
9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl 3-(acetyloxy)butanoate
C22H27NO6 (401.18382820000005)
3-(2-{7,7-dimethyl-3h-chromeno[6,5-b]pyrrol-1-yl}ethyl)-1-methylquinazoline-2,4-dione
(1r,3r,6r,13r,18r,19s,21s,23r)-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.0²,⁶.0³,²¹.0⁷,¹².0¹⁴,¹⁸.0¹⁹,²³]tricosa-7,9,11-triene-8,11-diol
C21H27N3O5 (401.19506120000005)
(1s,4s,5r,8s,9r,10r,13r)-9-[(1e)-but-1-en-1-yl]-3-[(2z)-3-methoxy-4-methyl-5-oxofuran-2-ylidene]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-10-ium-10-olate
C22H27NO6 (401.18382820000005)
(2s,4e)-5-hydroxy-2-[(s)-hydroxy(4-hydroxyphenyl)methyl]-4-[(2s,4r,6e)-1-hydroxy-2,4,6-trimethylnon-6-en-1-ylidene]-2h-pyrrol-3-one
(2,3-dimethoxy-6-{[(5s)-4-methoxy-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}phenyl)methanol
C22H27NO6 (401.18382820000005)
2',5',5',8'a-tetramethyl-3,3',4',4'a,6,6',7',8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6',7',8-tetrol
4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-2(7),3,5,12(17),13,15-hexaen-18-ol
C22H27NO6 (401.18382820000005)
{9,10-dihydroxy-6,6,9-trimethyl-11-oxo-6ah,7h,8h,10h,10ah-isochromeno[4,3-c]quinolin-12-yl}methyl acetate
C22H27NO6 (401.18382820000005)
(2r,2'r,4'as,6's,7'r,8'as)-2',5',5',8'a-tetramethyl-3,3',4',4'a,6,6',7',8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalene]-4,6',7',8-tetrol
(1s,11r,18s)-4,5,15,16-tetramethoxy-10-methyl-19-oxa-10-azatetracyclo[9.8.0.0²,⁷.0¹²,¹⁷]nonadeca-2(7),3,5,12(17),13,15-hexaen-18-ol
C22H27NO6 (401.18382820000005)
n-{[6-hydroxy-5-(3-hydroxyquinoline-2-amido)oxan-2-yl]methyl}-3-methylbutanimidic acid
C21H27N3O5 (401.19506120000005)
(1s,4s,5r,6r,8s,9r,13r)-9-[(1e)-but-1-en-1-yl]-3-[(2e)-3-methoxy-4-methyl-5-oxofuran-2-ylidene]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.0¹,⁵.0⁶,¹⁰.0⁹,¹³]tetradecan-10-ium-10-olate
C22H27NO6 (401.18382820000005)