Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1813)
Drug Name
TAS-103
Synonyms
TAS-103; TAS-103 dihydrochloride; J812.866I; ROWSTIYZUWEOMM-UHFFFAOYSA-N; TAS-103 free base; TAS-103(BMS247615); Tas 103; YVC96489QV; ZINC31494923; ZINC5957891; 174634-08-3; 3-Hydroxy-6-((2-(dimethylamino)ethyl)amino)-7H-indeno(2,1-C)quinolin-7-one; 3-Hydroxy-6-[[2-(dimethylamino)ethyl]amino]-7H-indeno[2,1-c]quinolin-7-one; 7H-Indeno(2,1-C)quinolin-7-one, 6-((2-(dimethylamino)ethyl)amino)-3-hydroxy-; AC1L42NJ; BCP20029; CHEMBL488755; CS-3273; HY-13758; SCHEMBL30479; UNII-YVC96489QV
Indication Colon cancer [ICD11: 2B90] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 333.4 Topological Polar Surface Area 65.5
Heavy Atom Count 25 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
135413533
CAS Number
174634-08-3
TTD Drug ID
D0E2LA
Formula
C20H19N3O2
Canonical SMILES
CN(C)CCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43
InChI
1S/C20H19N3O2/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)
InChIKey
ROWSTIYZUWEOMM-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
DM-TAS-103 DM003555 N. A. Oxidation - N-demethylation 1 [3]
NO-TAS-103 DM003553 N. A. Oxidation - N-oxidation 1 [3]
TAS-103-G DM003557 N. A. Multi-steps Reaction - Phenolic hydroxylation; O-glucuronidation 1 [3]
DM-TAS-103-G DM003556 N. A. Conjugation - Glucuronidation 2 [3]
NO-TAS-103-G DM003554 N. A. Conjugation - Glucuronidation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003991 TAS-103 NO-TAS-103 Oxidation - N-oxidation Unclear [3]
MR003993 TAS-103 DM-TAS-103 Oxidation - N-demethylation Unclear [3]
MR003995 TAS-103 TAS-103-G Multi-steps Reaction - Phenolic hydroxylation; O-glucuronidation Unclear [3]
MR003994 DM-TAS-103 DM-TAS-103-G Conjugation - Glucuronidation Unclear [3]
MR003992 NO-TAS-103 NO-TAS-103-G Conjugation - Glucuronidation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007714)
2 Phase I clinical and pharmacogenetic study of weekly TAS-103 in patients with advanced cancer. J Clin Oncol. 2001 Apr 1;19(7):2084-90.
3 Metabolism and urinary excretion of a new quinoline anticancer drug, TAS-103, in humans

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