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

General Information of Drug (ID: DR5573)
Drug Name
Desvenlafaxine
Synonyms Norvenlafaxine; Desvenlafaxine (INN); Desvenlafaxine [INN:BAN]; O-Desmethylvenlafaxine; WY 45,233; O-DESMETHYLVENLAFAXINE (ODV); WY-45,233
Indication Major depressive disorder [ICD11: 6A70-6A7Z] Approved [1]
Menopausal disorder [ICD11: ICD11: GA30] Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 263.37 Topological Polar Surface Area 43.7
Heavy Atom Count 19 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
125017
ChEBI ID
CHEBI:83527
CAS Number
93413-62-8
TTD Drug ID
D0O3FG
Formula
C16H25NO2
Canonical SMILES
CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
InChI
InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
InChIKey
KYYIDSXMWOZKMP-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
Benzyl hydroxy desvenlafaxine DM000787 N. A. Oxidation - Hydroxylation 1 [6]
Cyclohexane ring hydroxy desvenlafaxine DM000788
11993725
Oxidation - Hydroxylation 1 [6]
Desvenlafaxine N-oxide DM000790
76559642
Oxidation - N-oxidation 1 [6]
Desvenlafaxine O-glucuronide DM000789
45359131
Conjugation - O-glucuronidation 1 [6]
N,O-Didesmethylvenlafaxine DM000786
3451347
Oxidation - N-demethylation 1 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008963 Desvenlafaxine N,O-Didesmethylvenlafaxine Oxidation - N-demethylation CYP3A4 [6]
MR008964 Desvenlafaxine Benzyl hydroxy desvenlafaxine Oxidation - Hydroxylation Unclear [6]
MR008965 Desvenlafaxine Cyclohexane ring hydroxy desvenlafaxine Oxidation - Hydroxylation Unclear [6]
MR008966 Desvenlafaxine Desvenlafaxine O-glucuronide Conjugation - O-glucuronidation Unclear [6]
MR008967 Desvenlafaxine Desvenlafaxine N-oxide Oxidation - N-oxidation Unclear [6]
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
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4] , []
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[5]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[5]
UDP-glucuronosyltransferase 2B15 (UGT2B15) DME0049 Homo sapiens
UDB15_HUMAN
2.4.1.17
[5]
UDP-glucuronosyltransferase 2B17 (UGT2B17) DME0066 Homo sapiens
UDB17_HUMAN
2.4.1.17
[5]
UDP-glucuronosyltransferase 2B4 (UGT2B4) DME0047 Homo sapiens
UD2B4_HUMAN
2.4.1.17
[5]
UDP-glucuronyltransferase (UGT) DMEN064 . Not Available Not Available [4] , []
⏷ Show the Full List of 8  DME(s)
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7158).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7158).
3 Desvenlafaxine succinate for major depressive disorder
4 Influence of CYP2D6 genotype on the disposition of the enantiomers of venlafaxine and its major metabolites in postmortem femoral blood
5 Impact of polymorphisms in CYP and UGT enzymes and ABC and SLCO1B1 transporters on the pharmacokinetics and safety of desvenlafaxine
6 DrugBank(Pharmacology-Metabolism):Desvenlafaxine

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