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

General Information of Drug (ID: DR4224)
Drug Name
BI-11634
Synonyms .
Indication Thrombosis [ICD11: DB61-GB90] Phase 1 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 464.9 Topological Polar Surface Area 85.5
Heavy Atom Count 32 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
117587663
CAS Number
1622159-00-5
TTD Drug ID
D00ZPT
Formula
C22H22ClN4NaO4
Canonical SMILES
CC1=C(C=CC(=C1)C(=O)[N-][C@@H](COC)C2=NC3=C(N2)C=C(C=C3)Cl)N4CCOCC4=O.[Na+]
InChI
InChI=1S/C22H23ClN4O4.Na/c1-13-9-14(3-6-19(13)27-7-8-31-12-20(27)28)22(29)26-18(11-30-2)21-24-16-5-4-15(23)10-17(16)25-21;/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H2,24,25,26,29);/q;+1/p-1/t18-;/m0./s1
InChIKey
OJSUHLVJVGHFKW-FERBBOLQSA-M
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
BI-11634 Metabolite M1 DM018188 N. A. Oxidation - Mono-oxidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010123 BI-11634 BI-11634 Metabolite M1 Oxidation - Mono-oxidation CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[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 800041083)
2 Unexpected interaction between CYP3A4 and BI 11634: is BI 11634 interacting with CYP3A4 similar to nifedipine?

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