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

General Information of Drug (ID: DR1219)
Drug Name
Oxybutynin chloride
Synonyms
Oxibutinina hydrochloride; Oxybutynin (chloride); Oxybutynin HCl; Oxybutynin chloride; Oxybutynin hydrochloride; Tropax; 1508-65-2; 4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolate hydrochloride; 4-(Diethylamino)but-2-ynyl cyclohexylphenylglycolate hydrochloride; 4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride; EINECS 216-139-7; MFCD00072150; MLS000069688; SMR000058490; alpha-Phenylcyclohexaneglycolic acid 4-(diethylamino)-2-butynyl ester hydrochloride; Dridase; MJ 4309-1
Indication Overactive bladder [ICD11: GC50] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 393.9 Topological Polar Surface Area 49.8
Heavy Atom Count 27 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
91505
ChEBI ID
CHEBI:7857
CAS Number
1508-65-2
TTD Drug ID
D0R1DH
Formula
C22H32ClNO3
Canonical SMILES
CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl
InChI
1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H
InChIKey
SWIJYDAEGSIQPZ-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
Oxy-DE DM001117
133577
Oxidation - N-Deethylation 1 [5] , [3]
CHMA DM001118
97700
Unclear 2 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001877 Oxybutynin chloride N-desethyloxybutynin Oxidation - N-Deethylation CYP3A4 ... [5], [3]
MR001876 N-desethyloxybutynin 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid Unclear CYP3A4 [5]
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]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[3]
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1385 Bacteroides xylanisolvens Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1391 Bifidobacterium ruminatum Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1431 Holdemanella biformis Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1444 Odoribacter splanchnicus Not Available Not Available [4]
⏷ Show the Full List of 12  DME(s)
References
1 Oxybutynin Chloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 A comparative review of oxybutynin chloride formulations: pharmacokinetics and therapeutic efficacy in overactive bladder. Rev Urol. 2010 Winter;12(1):12-9.
3 Stereoselective pharmacokinetics of oxybutynin and N-desethyloxybutynin in vitro and in vivo. Xenobiotica. 2007 Jan;37(1):59-73.
4 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.
5 Oxybutynin. A review of its pharmacodynamic and pharmacokinetic properties, and its therapeutic use in detrusor instability Drugs Aging. 1995 Mar;6(3):243-62. doi: 10.2165/00002512-199506030-00007.

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