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

General Information of Drug (ID: DR0417)
Drug Name
Darifenacin hydrobromide
Synonyms
Darifenacin (hydrobromide); Darifenacin hydrobromide; Darilong; Q-101006; UK 88525-04 hydrobromide; UK-88525-04; UNII-CR02EYQ8GV; Darifenacin HBr; (S)-2-(1-(2-(2,3-dihydrobenzofuran-5-yl)ethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide hydrobromide; (S)-2-{1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromide; 133099-07-7; CHEBI:31455; CR02EYQ8GV; DSSTox_CID_26780; DSSTox_GSID_46780; DSSTox_RID_81899
Indication Overactive bladder [ICD11: GC50] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 507.5 Topological Polar Surface Area 55.6
Heavy Atom Count 33 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
444030
ChEBI ID
CHEBI:31455
CAS Number
133099-07-7
TTD Drug ID
D0Y5AM
Formula
C28H31BrN2O2
Canonical SMILES
C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
InChI
1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1
InChIKey
UQAVIASOPREUIT-VQIWEWKSSA-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
Phenyl hydroxylate DM001888 N. A. Oxidation - Hydroxylation 1 [2]
UK-148,993 DM001886
54085540
Oxidation - Hydroxylation 1 [2]
UK-222,247 DM001891
102096134
Unclear 1 [2]
UK-73,689 DM001890
2737455
Oxidation - N-Dealkylation 1 [2]
UK-88,862 DM001889
13633754
Oxidation - N-Dealkylation 1 [2]
UK-346,036 DM001887
91810637
Oxidation - N-Dealkylation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000736 Darifenacin hydrobromide UK-148,993 Oxidation - Hydroxylation CYP3A4 ... [2]
MR000737 Darifenacin hydrobromide Phenyl hydroxylate Oxidation - Hydroxylation CYP3A4 ... [2]
MR000738 Darifenacin hydrobromide UK-88,862 Oxidation - N-Dealkylation CYP3A4 [2]
MR000739 Darifenacin hydrobromide UK-73,689 Oxidation - N-Dealkylation CYP3A4 [2]
MR000740 Darifenacin hydrobromide UK-222,247 Unclear CYP3A4 ... [2]
MR000735 UK-148,993 UK-346,036 Oxidation - N-Dealkylation Unclear [2]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Darifenacin Hydrobromide was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 The clinical pharmacokinetics of darifenacin. Clin Pharmacokinet. 2006;45(4):325-50.

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