Exact Mass: 393.2059
Exact Mass Matches: 393.2059
Found 500 metabolites which its exact mass value is equals to given mass value 393.2059
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxidized Cypridina luciferin
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
Cyenopyrafen
Acidissiminol
Acidissiminol is found in beverages. Acidissiminol is an alkaloid from the fruit of Limonia acidissima (wood apple). Alkaloid from the fruit of Limonia acidissima (wood apple). Acidissiminol is found in beverages and fruits.
Erlotinib
Erlotinib hydrochloride (trade name Tarceva, Genentech/OSIP, originally coded as OSI-774) is a drug used to treat non-small cell lung cancer, pancreatic cancer and several other types of cancer. Similar to gefitinib, erlotinib specifically targets the epidermal growth factor receptor (EGFR) tyrosine kinase. It binds in a reversible fashion to the adenosine triphosphate (ATP) binding site of the receptor. Erlotinib has recently been shown to be a potent inhibitor of JAK2V617F activity. JAK2V617F is a mutant of tyrosine kinase JAK2, is found in most patients with polycythemia vera (PV) and a substantial proportion of patients with idiopathic myelofibrosis or essential thrombocythemia. The study suggests that erlotinib may be used for treatment of JAK2V617F-positive PV and other myeloproliferative disorders. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors 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
Epoxyfumitremorgin C
Epoxyfumitremorgin C is from Aspergillus fumigatus. From Aspergillus fumigatus
(-)-Tylophorine
Daprodustat
B - Blood and blood forming organs > B03 - Antianemic preparations C78275 - Agent Affecting Blood or Body Fluid Daprodustat (GSK1278863) is an orally active hypoxia-inducible factor prolyl hydroxylase (HIF-PH) inhibitor being developed for the treatment of anemia associated with chronic kidney disease.
1H-Indole-3-carboxylic acid, 1-methyl-, (1-(2-((methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl ester
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists GR 113808 is a potent and highly selective 5-HT4?receptor antagonist (pKb= 8.8). GR 113808 shows 300-fold selectivity over 5-HT1A, 5-HT1B, 5-HT2A, 5-HT2C and 5-HT3 receptors[1].
Lumateperone
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
1-(2-Methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine
2-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-{[3-(2h-1,2,3-Triazol-2-Yl)phenyl]amino}pyrimidine-5-Carboxamide
10-(2-(Diethylamino)ethyl)-9(10H)-acridinone (4,5-dihydro-2-thiazolyl)hydrazone
Estradiol 17-dihydrotrigonelline
6-methoxyspirotryprostatin B
An indole alkaloid isolated from a marine-derived fungal strain Aspergillus sydowii PFW1-13 and has been shown to exhibit cytotoxic activity.
Pirenperone
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 > C28197 - Antianxiety Agent Pirenperone (R 47465) is a 5-HT2 serotonin receptor antagonist. Pirenperone exhibits modest anxiolytic activity[1][2].
10-hydroxy-2,2,6,6,9-pentamethyl-3,4,6,7,8,9-hexahydro-2H-dipyrano[2,3-a;2,3-c]acridin-14-one|N-methyl-bicycloatalaphylline|N-Methylbicycloatalaphyllin|N-Methylbicycloatalaphylline
6-[2-(1,1-dimethyl-allyl)-6-(3-methyl-but-2-enyl)-2,3-dihydro-1H-indol-3-ylmethylene]-piperazine-2,3,5-trione|Neo-echinulin
(S)-3-((1,7-dihydro-7,7-dimethyl-2-(2-methylbut-3-en-2-yl)pyrano[2,3-g]indol-3-yl)methyl)piperazine-2,5-dione|talathermophilin C
marmeline acetate|N-[2-acetoxy-2-[4-(3,3-dimethylallyloxy)]phenyl]ethylcinnamide
1-Piperazineacetamide, 4-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-N-isopropyl-
Cys Gly Lys Ser
Cys Gly Ser Lys
Cys Lys Gly Ser
Cys Lys Ser Gly
Cys Ser Gly Lys
Cys Ser Lys Gly
Gly Cys Lys Ser
Gly Cys Ser Lys
Gly Lys Cys Ser
Gly Lys Ser Cys
Gly Ser Cys Lys
Gly Ser Lys Cys
Lys Cys Gly Ser
Lys Cys Ser Gly
Lys Gly Cys Ser
Lys Gly Ser Cys
Lys Ser Cys Gly
Lys Ser Gly Cys
Ser Cys Gly Lys
Ser Cys Lys Gly
Ser Gly Cys Lys
Ser Gly Lys Cys
Ser Lys Cys Gly
Ser Lys Gly Cys
Epoxyfumitremorgin C
ascr#8
A carboxamide resulting from the formal condensation of the carboxy group of ascr#7 with the amino group of 4-aminobenzoic acid. A metabolite of the nematode Caenorhabditis elegans, it is dauer inducing and strongly male attracting.
[(1R,4S)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium,iodide
TERT-BUTYL 4-((4-(ETHOXYCARBONYL)-2-ETHOXYPHENOXY)METHYL)PIPERIDINE-1-CARBOXYLATE
21-Amino-17-hydroxypregna-1,4-diene-3,11,20-trione hydrochloride
Benzyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropylcarbamate
3-(7-CYANO-5-(2-NITROPROPYL)INDOLIN-1-YL)PROPYL BENZOATE
2-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-3-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Oxybutynin chloride
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents Oxybutynin chloride is an oral active and competitive mAChR antagonist with Kis of 14.3 and 5.55 nM for specific [3H]NMS binding in the mouse bladder and cerebral cortex, respectively. Oxybutynin chloride inhibits vascular Kv channels in a manner independent of anticholinergic effect, with an IC50 value of 11.51 μM. Oxybutynin chloride reduces muscle spasm in the bladder and urinary tract, can be used in study of overactive bladder syndrome (OAB)[1][2]. Oxybutynin (chloride) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
(4-cyano-3-fluorophenyl) 4-(4-pentylcyclohexyl)benzoate
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline,9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (13aR)-
METHYL 4-(4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOL-3-YL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLATE
N-HYDROXY-4-(4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOL-3-YL)BICYCLO[2.2.2]OCTANE-1-CARBOXIMIDAMIDE
(3-QUINUCLIDINYL)DI(2-METHYLPHENYL)CARBINOL HYDROCHLORIDE DIHYDRATE
2,4-Dihydro-4-[4-[4-(4-hydroxylphenyl)piperazin-1-yl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
Nalbuphine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
2-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)isoindoline-1,3-dione
(2S)-(+)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE
Rimcazole dihydrochloride
Rimcazole (BW 234U) dihydrochloride is a carbazole derivative that acts in part as a sigma (σ) receptor antagonist. Rimcazole dihydrochloride also binds with moderate affinity to the dopamine transporter and inhibit dopamine uptake. Rimcazole dihydrochloride can reduce locomotor activity and sensitization. Rimcazole dihydrochloride also can be used for the research of cancer[1][2][3][4].
tert-butyl {(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl}carbamate monooxalate monohydrate
Ethyl (2R,4S)-4-([1,1-biphenyl]-4-ylmethyl)-2-methyl-4-(2,5-dioxopyrrolidin-1-yl)butanoate
2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1H-indene-1,3(2H)-dione
2-sec-butyl-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
but-2-enedioic acid,N,N-dimethyl-2-(11-methylidene-5,6-dihydrodibenzo[2,1-b:2,1-f][7]annulen-5-yl)ethanamine
4-(4-CBZ-PIPERAZIN-1-YL-METHYL)-2-TRIFLUOROMETHYLANILINE
(3S,5S)-5-(3-(Cyclopentyloxy)-4-methoxyphenyl)-3-(3-methylbenzyl)piperidin-2-one
1-(2-Methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
10-(2-(Diethylamino)ethyl)-9(10H)-acridinone (4,5-dihydro-2-thiazolyl)hydrazone
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) 1-methyl-4H-pyridine-3-carboxylate
4-({(2E,6R)-6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hept-2-enoyl}amino)benzoic acid
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
5-{[4-(9H-Fluoren-9-YL)piperazin-1-YL]carbonyl}-1H-indole
2-({8-[(3R)-3-Aminopiperidin-1-YL]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-YL}methyl)benzonitrile
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
5-{[4-(Aminooxy)butyl](methyl)amino}-5-deoxy-8-ethenyladenosine
Methyl N-[(2S,3R)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-D-alanyl-D-leucinate
Daprodustat
B - Blood and blood forming organs > B03 - Antianemic preparations C78275 - Agent Affecting Blood or Body Fluid Daprodustat (GSK1278863) is an orally active hypoxia-inducible factor prolyl hydroxylase (HIF-PH) inhibitor being developed for the treatment of anemia associated with chronic kidney disease.
ITI-722
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Lumateperone
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AD - Butyrophenone derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
(9S,10S)-10-hydroxy-9-(phosphonatooxy)octadecanoate
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoate
(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-propylpyrrolidin-1-ium-2-carboxamide
(2S,4R)-4-ethyl-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methylpyrrolidin-1-ium-2-carboxamide
2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid
Leu-Phe-Asp
A tripeptide composed of L-leucine, L-phenylalanine and L-aspartic acid joined in sequence by peptide linkages.
3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
2-amino-3-cyano-5-oxo-1-spiro[7,8-dihydro-6H-1-benzopyran-4,4-piperidine]carboxylic acid (phenylmethyl) ester
[1-[2-(2-Methylphenoxy)ethyl]-3-indolyl]-(4-methyl-1-piperazinyl)methanethione
11-(3-methoxypropyl)-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5,4:4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
2-[8-[(2,6-Dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester
2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[4-(1-tetrazolyl)phenyl]acetamide
4-[4-[(1-Tert-butyl-5-tetrazolyl)-pyridin-4-ylmethyl]-1-piperazinyl]phenol
2-[5-(2-Aminophenyl)-2-tetrazolyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone
9-[3-(4-acetyl-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15-pentaenoate
(7Z,11Z,13Z,15E,19Z)-10,17-bis(hydroperoxy)docosa-7,11,13,15,19-pentaenoate
Glu-Phe-Val
A tripeptide composed of L-glutamic acid, L-phenylalanine and L-valine joined in sequence by peptide linkages.
4-Hydroxy-6-(pyridin-3-yl)-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2H-pyran-2-one
3-[(4-Chlorophenyl)methylsulanyl]-4-methyl-5-undecyl-1,2,4-triazole
4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
(1S,5R)-N-cyclohexyl-7-[4-(4-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
N-[[(2R,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide
N-[[(2S,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
(3E)-1-[3-(dimethylamino)propyl]-5-fluoro-3-[(5-methoxy-1H-indol-3-yl)methylidene]indol-2-one
2-(diphenylmethoxy)-N,N-dimethylethanaminium 2-hydroxybenzoate
2-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-[(2R,5S,6R)-5-[[2-(dimethylamino)-1-oxoethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(2R,5R,6S)-5-[[2-(dimethylamino)-1-oxoethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(2R,5R,6R)-5-[[2-(dimethylamino)-1-oxoethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(2S,5R,6R)-5-[[2-(dimethylamino)-1-oxoethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(4-methoxyphenyl)methyl]acetamide
N-[(2R,3S,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
N-[(2R,3S,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
N-[(2S,3S,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
1-(2-fluorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
1-(2-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
1-(2-fluorophenyl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
1-(2-fluorophenyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
1-(4-fluorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(4-fluorophenyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
N-[[(2S,3R,4R)-4-(hydroxymethyl)-1-propanoyl-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]pyridine-4-carboxamide
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide
N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide
N-[[(2R,3R,4R)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide
N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-pyridinecarboxamide
N-ethyl-N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(pyridin-3-ylmethyl)azetidin-2-yl]methyl]acetamide
N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide
N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide
N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-5-phenyl-11-(piperidine-1-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
4-[4-[(1S,5R)-3-(1-oxo-2-phenylethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
(2S,3S,4R)-2-cyano-3-[2-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide
[(1S)-1-ethylsulfonyl-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
N-(2-hydroxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]octanediamide
2-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-methoxy-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
2-[(2S,5R,6S)-5-[[2-(dimethylamino)-1-oxoethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(2S,5S,6R)-5-[[2-(dimethylamino)-1-oxoethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(2S,5S,6S)-5-[[2-(dimethylamino)-1-oxoethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(2R,5S,6S)-5-[[2-(dimethylamino)-1-oxoethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(4-methoxyphenyl)methyl]acetamide
N-[(2S,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
N-[(2S,3R,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
N-[(2S,3S,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
N-[(2R,3R,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
N-[(2R,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
1-(2-fluorophenyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
1-(2-fluorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
1-(2-fluorophenyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
1-(2-fluorophenyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
1-(4-fluorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
1-(4-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
(2R,3S,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide
(2S,3R,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-N-cyclohexyl-4-(hydroxymethyl)-1-azetidinecarboxamide
N-[[(2S,3S,4R)-4-(hydroxymethyl)-1-propanoyl-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]pyridine-4-carboxamide
N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide
N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide
N-[[(2S,3R,4R)-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-2-azetidinyl]methyl]cyclobutanecarboxamide
N-[[(2R,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-pyridinecarboxamide
N-[[(2R,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-pyridinecarboxamide
N-[[(2S,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-pyridinecarboxamide
N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]acetamide
N-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
N-[[(2R,3S,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-N-methylacetamide
N-[[(2S,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-N-methylacetamide
1-[(1R,2aR,8bR)-2-[2-(dimethylamino)-1-oxoethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
(1S,9R,10R,11R)-10-(hydroxymethyl)-5-phenyl-11-(piperidine-1-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
[(1R)-1-ethylsulfonyl-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
[(1R)-1-ethylsulfonyl-7-methoxy-2,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
(9S,10R)-10-hydroxy-9-(phosphonatooxy)octadecanoate
1-azocanyl-[(2R,4R)-2-(4-hydroxybutoxy)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-yl]methanone
4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate hydrochloride
(8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosa-8,10,13,15,19-pentaenoate
1-(3-{6-(1H-indol-3-yl)-3-[(2S)-2-methylbutanamido]pyrazin-2-yl}propyl)guanidine
Erlotinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors 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
GR113808
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists GR 113808 is a potent and highly selective 5-HT4?receptor antagonist (pKb= 8.8). GR 113808 shows 300-fold selectivity over 5-HT1A, 5-HT1B, 5-HT2A, 5-HT2C and 5-HT3 receptors[1].
(8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoate
A hydroperoxydocosapentaenoate that is the conjugate base of (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate
A hydroperoxydocosapentaenoate that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(R)-Oxybutynin (hydrochloride)
(R)-Oxybutynin hydrochloride, a (R)-isomer of Oxybutynin hydrochloride, is an orally active muscarinic receptor antagonist. (R)-Oxybutynin hydrochloride has antimuscarinic, antispasmodic and anticholinergic activity, competitively antagonizes Carbachol-induced contractions. (R)-Oxybutynin hydrochloride can be used for researching incontinence due to neurogenic bladder dysfunction[1][2][3]. (R)-Oxybutynin (hydrochloride) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
n-(2-{4-[(3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl)oxy]phenyl}ethyl)benzenecarboximidic acid
(8r,12r)-6,12-dihydroxy-8-phenyl-1,5,9-triazatricyclo[10.7.1.0¹³,¹⁸]icosa-5,13,15,17-tetraen-19-one
2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-1,3,5-trihydroxy-10-methylacridin-9-one
(1s,3s)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
6-(5-{[4-(acetyloxy)-1-hydroxypent-2-en-1-ylidene]amino}-3,6-dimethyloxan-2-yl)-4-methylhexa-2,4-dienoic acid
4-[(2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalen-1-yl)(hydroxy)methylidene]-5-hydroxy-2-[(4-hydroxyphenyl)methyl]-2h-pyrrol-3-one
n-{4-[(4s)-5-methyl-2-oxo-4-phenyl-1,5-diazocan-1-yl]butyl}benzenecarboximidic acid
{7-[(2-methylbut-2-enoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl}methyl 3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate
5-[(1r,15s,17s,18s)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraen-6-yl]-4,5-dihydro-3h-pyrrol-2-ol
(3s,6s)-3-methyl-6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-3,6-dihydropyrazine-2,5-diol
7-benzyl-6,10-dihydroxy-4-(sec-butyl)-15-oxa-2,5,8-triazatricyclo[8.5.0.0³,⁸]pentadeca-1,3,5,11,13-pentaen-9-one
n-[2-(4-{[(3s,4e)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}phenyl)ethyl]benzenecarboximidic acid
5,10,11-trimethoxy-20-methyl-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaen-6-ol
8-o-methyldioncophyllinol b
{"Ingredient_id": "HBIN013861","Ingredient_name": "8-o-methyldioncophyllinol b","Alias": "NA","Ingredient_formula": "C24H27NO4","Ingredient_Smile": "CC1C(C2=C(C(N1)C)C(=C(C=C2)C3=C(C4=C(C=C3)C=C(C=C4OC)C)O)OC)O","Ingredient_weight": "393.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14318","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10715588","DrugBank_id": "NA"}
ancistrogriffine a
{"Ingredient_id": "HBIN015993","Ingredient_name": "ancistrogriffine a ","Alias": "NA","Ingredient_formula": "C24H27NO4","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C(N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)OC)O)C)O","Ingredient_weight": "393.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21543","PubChem_id": "101204923","DrugBank_id": "NA"}