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

General Information of Drug (ID: DR0693)
Drug Name
Fesoterodine
Synonyms
Fesoterodine; Fesoterodine (INN); Fesoterodine [INN:BAN]; SCHEMBL121127; ZINC1552908; 250214-44-9; 286930-02-7; 621G617227; AC1OCFL0; AKOS015841710; AN-5837; API0007018; C26H37NO3; CHEBI:135920; CHEMBL1201764; CS-M2392; DB06702; DTXSID80182853; FESO; GTPL7473; NCGC00346540-02; UNII-621G617227; [2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate; DCCSDBARQIPTGU-HSZRJFAPSA-N; [2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate
Indication Overactive bladder [ICD11: GC50] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 411.6 Topological Polar Surface Area 49.8
Heavy Atom Count 30 Rotatable Bond Count 11
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
6918558
PubChem SID
14781939 ; 17194959 ; 43529928 ; 51091564 ; 57371974 ; 74911026 ; 99443256 ; 114788164 ; 126633314 ; 126665680 ; 126666536 ; 127713256 ; 135215466 ; 137147467 ; 142600549 ; 151981129 ; 160682498 ; 160967872 ; 164841556 ; 174006830 ; 175268192 ; 176485080 ; 187051776 ; 210276627 ; 223666877 ; 224399961 ; 226492628 ; 241054700 ; 242587777 ; 252448583 ; 252552193
ChEBI ID
CHEBI:135920
CAS Number
286930-03-8
TTD Drug ID
D00BLL
Formula
C26H37NO3
Canonical SMILES
CC(C)C(=O)OC1=C(C=C(C=C1)CO)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2
InChI
1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1
InChIKey
DCCSDBARQIPTGU-HSZRJFAPSA-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
5-Hydroxymethyl tolterodine DM000171
9819382
Hydrolysis - Hydrolysis 1 [3] , [4] , [5]
Fesoterodine carboxy-N-desisopropyl metabolite DM000173 N. A. Unclear 1 [3] , [6]
Fesoterodine N-desisopropyl metabolite DM000174 N. A. Unclear 1 [3] , [6]
Fesoterodine carboxy metabolite DM000172 N. A. Unclear 2 [3] , [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001027 Fesoterodine Fesoterodine 5-hydroxymethyl tolterodine Hydrolysis - Hydrolysis PE [3], [4], [5]
MR001028 Fesoterodine Fesoterodine carboxy-N-desisopropyl metabolite Unclear CYP3A4 ... [3], [6]
MR001029 Fesoterodine Fesoterodine N-desisopropyl metabolite Unclear CYP3A4 ... [3], [6]
MR001026 Fesoterodine 5-hydroxymethyl tolterodine Fesoterodine carboxy metabolite Unclear CYP3A4 ... [3], [6]
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 Fesoterodine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Effects of the moderate CYP3A4 inhibitor, fluconazole, on the pharmacokinetics of fesoterodine in healthy subjects. Br J Clin Pharmacol. 2011 Aug;72(2):263-9.
3 Physiologically Based Pharmacokinetic Modeling Suggests Limited Drug-Drug Interaction for Fesoterodine When Coadministered With Mirabegron J Clin Pharmacol. 2019 Nov;59(11):1505-1518. doi: 10.1002/jcph.1438.
4 Population Pharmacokinetic and Pharmacodynamic Modeling of Fesoterodine in Pediatric Patients?with Neurogenic Detrusor Overactivity. Eur J Drug Metab Pharmacokinet. 2023 May;48(3):257-269. doi: 10.1007/s13318-023-00818-8.
5 Fesoterodine treatment of pediatric patients with neurogenic detrusor overactivity: A 24-week, randomized, open-label, phase 3 study. J Pediatr Urol. 2023 Apr;19(2):175.e1-175.e10. doi: 10.1016/j.jpurol.2022.11.020.
6 LABEL:FESOTERODINE FUMARATE tablet, extended release

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.