Exact Mass: 429.169
Exact Mass Matches: 429.169
Found 425 metabolites which its exact mass value is equals to given mass value 429.169
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
7-Benzylidenenaltrexone
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
Pizotifen malate
Pizotifen malate (Pizotyline malate) is a potent 5-HT2 receptor antagonist, with a high affinity for 5-HT1C binding site.
Abiraterone sulfate
Abiraterone sulfate is a metabolite of abiraterone. Abiraterone is a drug used in castration-resistant prostate cancer (formerly hormone-resistant or hormone-refractory prostate cancer) (prostate cancer not responding to androgen deprivation or treatment with antiandrogens). It is formulated as the prodrug abiraterone acetate and marketed under the trade name Zytiga. After an expedited six-month review, abiraterone was approved by the U.S. Food and Drug Administration (FDA) in April 2011. (Wikipedia)
7-Benzylidenenaltrexone
Azalanstat
Azeloprazole
Guan-fu base A
Guanfu base A is an antiarrhythmic alkaloid isolated from Aconitum coreanum and is a potent noncompetitive CYP2D6 inhibitor, with a Ki of 1.20 μM in human liver microsomes (HLMs) and a Ki of 0.37 μM for the human recombinant form (rCYP2D6). Guanfu base A is also a potent competitive inhibitor of CYP2D in monkey (Ki of 0.38 μM) and dog (Ki of 2.4 μM) microsomes[1]. Guanfu base A also inhibits HERG channel current[2]. Guanfu base A is an antiarrhythmic alkaloid isolated from Aconitum coreanum and is a potent noncompetitive CYP2D6 inhibitor, with a Ki of 1.20 μM in human liver microsomes (HLMs) and a Ki of 0.37 μM for the human recombinant form (rCYP2D6). Guanfu base A is also a potent competitive inhibitor of CYP2D in monkey (Ki of 0.38 μM) and dog (Ki of 2.4 μM) microsomes[1]. Guanfu base A also inhibits HERG channel current[2].
Hippuryl-histidyl-leucine
2-(2-(4-Phenoxy-2-propylphenoxy)ethyl)indole-5-acetic acid
Sarpogrelate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents
8-Benzylcanadine
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.163 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.170
2-amino-3-[[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulfanyl]propanoic acid
14N-Ac-9-[(2-Amino-2-carboxyethyl)thio]-10-hydroxy-3,5,7-tetradecatrienedioic acid
(5R)-3-methyl-2(5H)furanone-(5->6)-(6R)-5,6-dihydrosanguinarine|maclekarpine C
(-)-trans-2-fluorocyclohexyl-N-[p-(4-methyl-beta-D-glucopyranosyl)]phenyl-carbamate
7beta-senecioyloxy-9-(5-senecioyloxy angeloyloxy)-5,8-dehydroheliotridin-5-one|7beta-senecioyloxy-9-<5-senecioyloxy angeloyloxy>-5,8-dehydroheliotridin-5-one
(-)N-(12-Acetoxy)jasmonoyl-phenylalaninmethylester
acehytisine
Guanfu base A is an antiarrhythmic alkaloid isolated from Aconitum coreanum and is a potent noncompetitive CYP2D6 inhibitor, with a Ki of 1.20 μM in human liver microsomes (HLMs) and a Ki of 0.37 μM for the human recombinant form (rCYP2D6). Guanfu base A is also a potent competitive inhibitor of CYP2D in monkey (Ki of 0.38 μM) and dog (Ki of 2.4 μM) microsomes[1]. Guanfu base A also inhibits HERG channel current[2]. Guanfu base A is an antiarrhythmic alkaloid isolated from Aconitum coreanum and is a potent noncompetitive CYP2D6 inhibitor, with a Ki of 1.20 μM in human liver microsomes (HLMs) and a Ki of 0.37 μM for the human recombinant form (rCYP2D6). Guanfu base A is also a potent competitive inhibitor of CYP2D in monkey (Ki of 0.38 μM) and dog (Ki of 2.4 μM) microsomes[1]. Guanfu base A also inhibits HERG channel current[2].
Pefloxacin mesylate
L - Antineoplastic and immunomodulating agents > L03 - Immunostimulants > L03A - Immunostimulants > L03AA - Colony stimulating factors 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 C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
C21H35NO6S_Cysteine, S-[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxooxacyclotetradeca-6,9-dien-4-yl]
2-amino-3-[[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulfanyl]propanoic acid_major
Ala Asp Pro Gln
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Cys Gly His Asn
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Trp Pro Gly Ala
14-carboxy-15,16,17,18,19,20-hexanor-N-acetyl-leukotriene E4
2-(4-methylpiperidin-1-yl)ethyl 6-ethyl-3-methyl-2,9-dioxo-[1,3]thiazolo[5,4-f]quinoline-8-carboxylate
Amicycline
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
2-hydroxyethyl 2-methylprop-2-enoate,2-methylidenehexanoate,methyl 2-methylprop-2-enoate,prop-2-enoic acid
(S)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-(4-ISOPROPYL-PHENYL)-PROPIONIC ACID
7-(Benzyloxy)-4-(4-Fluoro-2-Methyl-1h-Indol-5-Yloxy)-6-Methoxyquinazoline
4-({[(2S,4S)-2-[2-(4-Chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethy l)-1,3-dioxolan-4-yl]methyl}sulfanyl)aniline
2-(((1-(TERT-BUTOXY)-2-METHYL-1-OXOPROPAN-2-YL)OXY)IMINO)-2-(2-((TERT-BUTOXYCARBONYL)AMINO)THIAZOL-4-YL)ACETIC ACID
2-(2-ETHOXY-1-BUTENYL)-5-PHENYL-3-(3-SULFOBUTYL)BENZOXAZOLIUM INNER SALT
4-[BUTYL([2-(1H-TETRAZOL-5-YL)[1,1-BIPHENYL]-4-YL]METHYL)AMINO]-5-PYRIMIDINECARBOXYLIC ACID
2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl acetate
Erlotinib hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
4-Chloromethyl-n-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide
Thiourea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(3-methylphenyl)-N-(3-pyridinylmethyl)- (9CI)
ethyl 1,4-dihydro-7-[(S,S)-3-methoxy-4-methylamino-1-pyrrolidinyl]-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylate
methyl 1-[(2-carbamoylbiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate
3-{2-[4-(4-fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Evobrutinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163774 - BTK-targeting Agent
7-[2(S)-[3(R)-Hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]heptanoic acid
17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochlori de dihydrate
2-[[(3aR,4S,6R,6aS)-6-(7-chloro-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
3,8-DI-(ETHOXYCARBONYLAMINO)-6-PHENYLPHENANTHRIDINE
2-(Fmoc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetic Acid
2-(((4-(2,2-dimethyl-1,3-dioxan-5-yl)methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole
Rac-N-Methyllaudanosolinium Trifluoroacetate
A natural product found in Gnetum montanum.
N-(4-fluoro-3-(6-pyridin-2-yl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)phenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
6-[2-Oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinone
Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(1-piperazinyl)propylidene)-, (E)-
[4-(4-Acetylamino-phenyl)-3,5-dioxo-4-aza-tricyclo[5.2.2.0 2,6]undec-1-ylcarbamoyloxy]-acetic acid
2-{[(6-Oxo-1,6-Dihydropyridin-3-Yl)methyl]amino}-N-[4-Propyl-3-(Trifluoromethyl)phenyl]benzamide
(2S,5R,6R)-6-({(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Ipratropium bromide hydrate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
Sarpogrelate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents
N-phenyl-5-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophene-2-carboxamide
2-O-[alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-D-glycerate
(2-Amino-3-oxopropyl) [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2,5-dihydroxy-3-methylphenyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(6E)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
4-[({2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methyl)sulfanyl]aniline
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)-, (5alpha)-
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
Tarceva
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
[5-[(4-Methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
3-[2-[4-(2-Chloro-4-nitrophenyl)-1-piperazinyl]ethoxy]-4-phenyl-1,2,5-oxadiazole
2-Amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4,5-dihydropyrano[3,2-c]pyridine-3-carbonitrile
1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate
1-[2-[[(2,4-Dichloroanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
N-[3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxo-1-pyrrolidinyl)benzamide
2-[[4-(4-fluorophenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-oxolanylmethyl)acetamide
N-(2-ethylphenyl)-2-[[2-(4-methoxyphenyl)-4-oxo-1-benzopyran-6-yl]oxy]acetamide
N-[2-methoxy-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]-2-(4-methylphenoxy)acetamide
N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]propanamide
{[(1r,7r)-4-(4-Acetamidophenyl)-3,5-dioxo-4-azatricyclo[5.2.2.0(2,6)]undec-1-yl]carbamoyloxy}acetic acid
1-[2-[[4,6-Bis(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [2-(9H-fluoren-3-yl)-2-oxoethyl] ester
N-[1-methyl-2-[2-(4-phenyl-1-piperazinyl)ethyl]-5-benzimidazolyl]-2-furancarboxamide
3,4,5-trimethoxy-N-[[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]benzamide
4-[[[2-(1-Azepanyl)ethyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-morpholinyl)phenyl]-3-imidazo[1,2-a]pyrazinamine
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)acetamide
2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]-N-(1-phenylethyl)acetamide
N-[2,5-diethoxy-4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
1-methyl-4-[2-oxo-2-(N-(phenylmethyl)anilino)ethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid propan-2-yl ester
3-[(2S,4S)-2-(4-hydroxybutoxy)-6-[4-morpholinyl(oxo)methyl]-3,4-dihydro-2H-pyran-4-yl]-1-benzopyran-4-one
N-(18-Phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)benzamide
3-O-acetyl-8-O-demethylmaritidine Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
(4As,6Z,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
(2R)-2-O-[alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-glycerate
(4-(2,5-Di(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl)(furan-3-yl)methanone
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
3-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
4-[4-[(1S,5R)-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
4-[4-[(1R,5S)-3-(2-methylphenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
methyl 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
(1R,9S,10S,11S)-N-cyclobutyl-12-[(2,5-difluorophenyl)methyl]-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
4-[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
methyl 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
(1S,9R,10R,11R)-10-(hydroxymethyl)-12-(oxan-4-ylmethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2S)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide
[(1S,2aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
(2R)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(4-pyrimidinylmethyl)acetamide
[(1R,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
[(1S,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
[(1R,2aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone
2-[(2R,4aR,12aR)-5-methyl-8-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
(1S,9R,10R,11R)-N-cyclobutyl-12-[(2,5-difluorophenyl)methyl]-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-12-(oxan-4-ylmethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
methyl 2-[(6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)thio]ethanimidate
2-Chloro-N-[3-[(Z)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl]benzamide
5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid
2-[(E)-(2-oxo-1H-indol-3-ylidene)amino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide;hydrate
(3S,12Z)-14,14,21,21-tetramethyl-22-oxa-5,11,16-triazahexacyclo[13.11.0.03,11.05,9.017,26.018,23]hexacosa-1(15),8,12,17(26),18(23),19,24-heptaene-4,10-dione
(3S,12Z)-14,14,21,21-tetramethyl-20-oxa-5,11,16-triazahexacyclo[13.11.0.03,11.05,9.017,26.019,24]hexacosa-1(15),8,12,17(26),18,22,24-heptaene-4,10-dione
2-amino-3-[[(6Z,9Z)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxo-1-oxacyclotetradeca-6,9-dien-4-yl]sulfanyl]propanoic acid
[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate
2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glycerate
A carbohydrate acid derivative anion that is the conjugate base of 2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glyceric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4F 4PP (oxalate)
4F 4PP (oxalate) is a selective 5-HT2A antagonist with almost as high affinity (Ki= 5.3 nM) as ketanserin but with a much lower affinity for 5-HT2C sites (Ki= 620 nM)[1][2][3][4].
BML-280
BML-280 (VU0285655-1) is a potent and selective phospholipase D2 (PLD2) inhibitor. BML-280 has the ability to prevent caspase-3 cleavage and reduction in cell viability induced by high glucose. BML-280 can be used for rheumatoid arthritis research[1][2].
GNE-9278
GNE-9278 is a highly selective positive allosteric modulator of NMDAR that acts at the GluN1 transmembrane domain (TMD). GNE-9278 acts on activated NMDARs to increase peak current and agonist affinity[1].
Ipratropium (bromide hydrate)
Ipratropium bromide (Sch 1000) hydrate is a muscarinic receptor antagonist, with IC50s of 2.9 nM, 2 nM, and 1.7 nM for M1, M2, and M3 receptors, respectively. Ipratropium bromide hydrate relaxes smooth muscle, can be used in the research for COPD (chronic obstructive pulmonary disease) and asthma[1][2][3][4][5].
(1s,11r,13s,14s,15r,19r)-14,15-dimethoxy-20-methyl-19-(2-oxopropyl)-5,7,21-trioxa-20-azahexacyclo[11.4.3.1¹¹,¹⁴.0¹,¹³.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9-trien-16-one
(5r)-3-methyl-5-[(23s)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]-5h-furan-2-one
1-acetyl-5-hydroxy-6-[(2r,4r,5s,6r)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione
(1s,9s,10s,13s)-6-[(1r,2r,4as,6r,8ar)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-triene-1,5,10,13-tetrol
6-(2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-8-oxa-4-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-triene-1,5,10,13-tetrol
(3s,12r,27s)-12,26-dihydroxy-3-methyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
3-(acetyloxy)-9,10-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-19-yl acetate
12,26-dihydroxy-3-methyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
2-[(1-hydroxy-2-{[hydroxy(5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl)methylidene]amino}-3-(c-hydroxycarbonimidoyl)propylidene)amino]-3-(1h-indol-3-yl)propanoic acid
1-(2-amino-1-benzofuran-3-yl)-2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
3-nitropropyl allolactoside
{"Ingredient_id": "HBIN008981","Ingredient_name": "3-nitropropyl allolactoside","Alias": "NA","Ingredient_formula": "C15H27NO13","Ingredient_Smile": "NA","Ingredient_weight": "429.377","OB_score": "NA","CAS_id": "117845-08-O","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8027","PubChem_id": "NA","DrugBank_id": "NA"}
acuminaminoside
{"Ingredient_id": "HBIN014647","Ingredient_name": "acuminaminoside","Alias": "NA","Ingredient_formula": "C22H23NO8","Ingredient_Smile": "C1=CC=C(C(=C1)CC(=O)C2=C(OC3=CC=CC=C32)N)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "429.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "590","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21577089","DrugBank_id": "NA"}