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

General Information of Drug (ID: DR5483)
Drug Name
Fluvoxamine
Synonyms
Dumyrox; Fluvoxamina; Fluvoxaminum; Fluvoxamina [INN-Spanish]; Fluvoxamine (INN); Fluvoxamine [INN:BAN]; Fluvoxamine-CR; Fluvoxaminum [INN-Latin]; Luvox (TN); (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime; 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine; 2-[({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
Indication Depression [ICD11: 6A70-6A7Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 318.33 Topological Polar Surface Area 56.8
Heavy Atom Count 22 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
5324346
ChEBI ID
CHEBI:5138
CAS Number
54739-18-3
TTD Drug ID
D03HFG
Formula
C15H21F3N2O2
Canonical SMILES
COCCCC/C(=N\\OCCN)/C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
InChIKey
CJOFXWAVKWHTFT-XSFVSMFZSA-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
Fluvoxamine alcohol DM002048
46781630
Unclear - Unclear 1 [4]
Fluvoxamino acid DM002047 N. A. Unclear - Unclear 1 [5]
Fluvoxamino alcohol DM002048 N. A. Unclear - Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010935 Fluvoxamine Fluvoxamino acid Unclear - Unclear CYP1A2 [5]
MR010936 Fluvoxamine Fluvoxamino alcohol Unclear - Unclear CYP1A2 ... [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
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: 7189).
2 Disposition of fluvoxamine in humans is determined by the polymorphic CYP2D6 and also by the CYP1A2 activity
3 Clinical Pharmacogenetics Implementation Consortium (CPIC) Guideline for CYP2D6, CYP2C19, CYP2B6, SLC6A4, and HTR2A Genotypes and Serotonin Reuptake Inhibitor Antidepressants
4 Synthetic and natural compounds that interact with human cytochrome P450 1A2 and implications in drug development. Curr Med Chem. 2009;16(31):4066-218.
5 DrugBank(Pharmacology-Metabolism):Fluvoxamine

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