Exact Mass: 393.1707
Exact Mass Matches: 393.1707
Found 500 metabolites which its exact mass value is equals to given mass value 393.1707
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fruquintinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
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
6'-Apiosyllotaustralin
6-Apiosyllotaustralin is found in root vegetables. 6-Apiosyllotaustralin is a constituent of the roots of Manihot esculenta (cassava). Constituent of the roots of Manihot esculenta (cassava). 6-Apiosyllotaustralin is found in root vegetables.
Epoxyfumitremorgin C
Epoxyfumitremorgin C is from Aspergillus fumigatus. From Aspergillus fumigatus
(-)-Tylophorine
N-Hydroxy-2(R)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride
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.
gamma-Glutamylfelinylglycine
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].
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
1-[5-(2-Cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-ylmethyl)thiophen-2-yl]cyclopent-3-ene carboxylic acid
4-(2-Aminoethylamino)-3-[bis(carboxymethyl)amino]-3-(carboxymethyl)hexanedioic acid
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].
2-((6-O-(beta-D-apiofuranosyl)-beta-D-glucopyranosyl)oxy)-2-methylbutanenitrile
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
Ala Cys Asn Ser
Ala Cys Ser Asn
Ala Asn Cys Ser
Ala Asn Ser Cys
Ala Ser Cys Asn
Ala Ser Asn Cys
Cys Ala Asn Ser
Cys Ala Ser Asn
Cys Gly Lys Ser
Cys Gly Asn Thr
Cys Gly Gln Ser
Cys Gly Ser Lys
Cys Gly Ser Gln
Cys Gly Thr Asn
Cys Lys Gly Ser
Cys Lys Ser Gly
Cys Asn Ala Ser
Cys Asn Gly Thr
Cys Asn Ser Ala
Cys Ser Gly Lys
Cys Ser Lys Gly
Phe Gly Gly Asn
Phe Gly Asn Gly
Phe Asn Gly Gly
Gly Cys Lys Ser
Gly Cys Ser Lys
Gly Phe Gly Asn
Gly Phe Asn Gly
Gly Gly Phe Asn
Gly Gly Asn Phe
Gly Lys Cys Ser
Gly Lys Ser Cys
Gly Asn Phe Gly
Gly Asn Gly Phe
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
Asn Phe Gly Gly
Asn Gly Phe Gly
Asn Gly Gly Phe
Asn Ser Ser Ser
Ser Cys Gly Lys
Ser Cys Lys Gly
Ser Gly Cys Lys
Ser Gly Lys Cys
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Ser Lys Gly Cys
Ser Asn Ser Ser
Ser Ser Asn Ser
Ser Ser Ser Asn
Pentetic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D020011 - Protective Agents > D000931 - Antidotes
6'-Apiosyllotaustralin
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.
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
7-FLUORO-3,4-DIHYDRO-4-[(5-ISOQUINOLINYLOXY)ACETYL]-1,3,3-TRIMETHYL-2(1H)-QUINOXALINONE
Urea, N-[(2-chloro-6,8-dimethyl-3-quinolinyl)methyl]-N-(2-methylphenyl)-N-2-propenyl- (9CI)
2,6-BIS((3AS,8AR)-8,8A-DIHYDRO-3AH-INDENO[1,2-D]OXAZOL-2-YL)PYRIDINE
Cinacalcet hydrochloride
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D057966 - Calcimimetic Agents C78275 - Agent Affecting Blood or Body Fluid > C2136 - Malignancy-Associated Hypercalcemia Inhibitor D000077264 - Calcium-Regulating Hormones and Agents
21-Amino-17-hydroxypregna-1,4-diene-3,11,20-trione hydrochloride
5-(6-(BENZYLOXY)NAPHTHALEN-2-YL)-2,2-DIMETHYL-5-NITRO-1,3-DIOXANE
methyl 2-[(3-cyanobenzoyl)amino]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxylate
O-[BIS(4-METHOXYPHENYL)PHOSPHINYL]-N-(TERT-BUTOXYCARBONYL)HYDROXYLAMINE
3-(7-CYANO-5-(2-NITROPROPYL)INDOLIN-1-YL)PROPYL BENZOATE
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.
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
7-[2-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione,hydrochloride
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].
2,6-BIS((3AR,8AS)-8,8A-DIHYDRO-3AH-INDENO[1,2-D]OXAZOL-2-YL)PYRIDINE
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
9H-Purine-9-acetic acid, 6-[bis[(1,1-diMethylethoxy)carbonyl]aMino]-
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
4-(3-(4-(1-methyl-1H-pyrazol-5-yl)phenylthio)phenyl)-tetrahydro-2H-pyran-4-carboxamide
PF-4191834 (PF-04191834) is an orally active, noniron chelating, and non-redox inhibitor of the 5-Lipoxygenase (5-LOX) (IC50=229 nM), displays ~300-fold selectivity for 5-LOX over 12-LOX and 15-LOX, shows no activity toward the cyclooxygenase enzymes, and is effective in inflammation and pain[1].
N-Hydroxy-2(R)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
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
4-({(2E,6R)-6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hept-2-enoyl}amino)benzoic acid
2-fluoro-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]benzamide
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[1-(4-ethoxyphenyl)-2-imidazolyl]thio]ethanone
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
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.
(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
2-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)-2-methylbutanenitrile
3-[(2E,4E,6E)-6,8-dimethyldeca-2,4,6-trienoyl]-1-hydroxy-5-(4-oxidophenyl)-2-oxopyridin-4-olate
(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
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide
2-amino-3-cyano-5-oxo-1-spiro[7,8-dihydro-6H-1-benzopyran-4,4-piperidine]carboxylic acid (phenylmethyl) ester
1-[4-(4-Phenylmethoxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
N-(3-imidazol-1-ylpropyl)-2-[(4-nitrobenzoyl)amino]benzamide
2-[1-[[[(4-Methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester
N-{(E)-[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)tetrahydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
[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
2,5-Dimethyl-3-furancarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester
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
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
Glu-Phe-Val
A tripeptide composed of L-glutamic acid, L-phenylalanine and L-valine joined in sequence by peptide linkages.
3-[(4-Chlorophenyl)methylsulanyl]-4-methyl-5-undecyl-1,2,4-triazole
4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-fluorophenyl)methanone
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
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-[[(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
[(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
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
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-[[(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
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxazolylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-fluorophenyl)methanone
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
Cyclohexyl 2-methyl-4-thiophen-2-yl-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
(2,5-Dioxopyrrolidin-1-yl) 4-(3,6-diaminoacridin-10-ium-10-yl)butanoate
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].
(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.
Agomelatine (L(+)-Tartaric acid)
Agomelatine L(+)-Tartaric acid (S-20098 L(+)-Tartaric acid) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively[1]. Agomelatine L(+)-Tartaric acid is a selective 5-HT2C receptor antagonist with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively[2].
CJ-13,610
CJ-13,610, a nonredox-type 5-LO inhibitor, dose dependently suppresses 5-LO product formation in ionophore A23187-stimulated PMNL in the absence of exogenous AA with an IC50 of about 70 nM[1]. PMNL: polymorphonuclear leukocytes; AA: arachidonic acid
SCD1 inhibitor-3
SCD1 inhibitor-3 is a safe, potent and orally active SCD1 inhibitor. SCD1 inhibitor-3 can be used for the research of metabolic diseases such as obesity, type II diabetes and dyslipidemia, as well as skin diseases, acne and cancer[1].
1-[(6s)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-6h-benzo[c]phenanthridin-6-yl]propan-2-one
(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
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
(2s)-20-hydroxy-10,18-dimethoxy-6,14,22-triazapentacyclo[12.8.0.0²,⁶.0⁸,¹³.0¹⁶,²¹]docosa-1(22),8,10,12,16,18,20-heptaene-7,15-dione
{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
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
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
10,19-dimethoxy-7,15-dioxo-6,14,22λ⁵-triazapentacyclo[12.8.0.0²,⁶.0⁸,¹³.0¹⁷,²²]docosa-1(22),8,10,12,16,18,20-heptaen-22-ylium-16-olate
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"}