Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM020043)
DM Name
Camptothecin
Synonyms
Flavopiridol|Alvocidib|146426-40-6|Alvocidib freebase|L86-8275|FLAVO|L 868275|L-868275|Flavopiridol (Alvocidib)|HMR-1275|HMR 1274|2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one|L 86-8275|2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one|2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one|CHEMBL428690|45AD6X575G|2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE|NSC 649890 HCl|MDL-107826A|2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]chromen-4-one|Alvocidib [INN]|Flavoperidol|4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-|Alvocidib [USAN]|L868275|Alvocidib [USAN:INN]|alvocidibum|UNII-45AD6X575G|CCRIS 9399|4H-1-BENZOPYRAN-4-ONE, 2-(2-CHLOROPHENYL)-5,7-DIHYDROXY-8-((3S,4R)-3-HYDROXY-1-METHYL-4-PIPERIDINYL)-|(-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one|NSC649890|1c8k|1e1y|Alvocidib (USAN/INN)|FLAVOPIRIDOL [MI]|ALVOCIDIB [MART.]|ALVOCIDIB [WHO-DD]|SCHEMBL3652|Flavopiridol HCl; Alvocidib|BDBM5655|GTPL5680|CHEBI:47344|DTXSID20904970|EX-A1901|Flavopiridol,Alvocidib, HMR-1275|HMR-1274|MFCD20501884|NSC799330|s1230|AM84422|CCG-268666|DB03496|NSC-799330|(-)-cis-5,7-dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methyl-4-piperidinyl)-, rel-(-)-|4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, cis-(-)-|AS-74761|HY-10005|A25160|D09868|EN300-22867972|J-008219|Q4063441|BRD-K87909389-001-01-2|(-)-CIS-2-(2-CHLOROPHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYLPIPERIDIN-4-YL)-4H-1-BENZOPYRAN-4-ONE|2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one;Alvocidib|4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-2,3-dihydro-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 401.8 Topological Polar Surface Area 90.2
Heavy Atom Count 28 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
PubChem CID
24360
Complexity
628
Formula
C21H20ClNO5
Canonical SMILES
CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
InChI
InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
InChIKey
BIIVYFLTOXDAOV-YVEFUNNKSA-N
IUPAC name
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
Full List of Drug-Metabolizing Enzyme (DME) Related to This DM
DME(s) Producing This DM through Metabolism
DME Name DME ID Reactant Reaction Related Drug REF
phosphatase (Pase) DMEN214
TP-1287
Hydrolysis - Hydrolyzation TP-1287 [1]
Full List of Drug(s) That Produce This DM By Metabolism
TP-1287 DR4109 Phase 1 Solid tumour/cancer
References
1 Clinicaltrials:TP-1287

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