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

General Information of Drug (ID: DR3297)
Drug Name
Tarafenacin
Synonyms SVT-40776; Muscarinic M3 receptor antagonist (overactive bladder), SALVAT
Indication Overactive bladder [ICD11: GC50] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 408.4 Topological Polar Surface Area 32.8
Heavy Atom Count 29 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
25147683
CAS Number
385367-47-5
TTD Drug ID
D04YEW
Formula
C21H20F4N2O2
Canonical SMILES
C1CN2CCC1[C@H](C2)OC(=O)N(CC3=CC(=C(C(=C3)F)F)F)C4=CC(=CC=C4)F
InChI
InChI=1S/C21H20F4N2O2/c22-15-2-1-3-16(10-15)27(11-13-8-17(23)20(25)18(24)9-13)21(28)29-19-12-26-6-4-14(19)5-7-26/h1-3,8-10,14,19H,4-7,11-12H2/t19-/m0/s1
InChIKey
UXZDMXYRRQJIBJ-IBGZPJMESA-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
Tarafenacin Metabolite M1 DM018930 N. A. Unclear - Unclear 1 [2]
Tarafenacin Metabolite M2/M3 DM018931 N. A. Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011315 Tarafenacin Tarafenacin Metabolite M1 Unclear - Unclear CYP2C9 [2]
MR011316 Tarafenacin Tarafenacin Metabolite M2/M3 Unclear - Unclear CYP2C9 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
References
1 ClinicalTrials.gov (NCT01458197) A Phase 2 Study to Compare the Efficacy and Tolerability of Tarafenacin 0.2 mg and Tarafenacin 0.4 mg to Placebo in Patients Suffering From Overactive Bladder.. U.S. National Institutes of Health.
2 Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9

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