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

General Information of Drug (ID: DR1009)
Drug Name
Medifoxamine
Synonyms
Medifoxamina; Medifoxamina [INN-Spanish]; Medifoxamine; Medifoxamine (INN); Medifoxamine [INN:DCF]; Medifoxaminum; Medifoxaminum [INN-Latin]; KWU7C2A1NT; ZX-AT022754; (Dimethylamino)acetaldehyde diphenyl acetal; 32359-34-5; AC1L1V3V; Acetaldehyde, (dimethylamino)-, diphenyl acetal; BRN 2054310; C16H19NO2; CHEBI:135061; CHEMBL85231; CTK4G8876; DTXSID80186078; EINECS 251-011-4; Ethanamine, N,N-dimethyl-2,2-diphenoxy-; N,N-Dimethyl-2,2-diphenoxyethanamine; N,N-Dimethyl-2,2-diphenoxyethylamine; SCHEMBL49319; UNII-KWU7C2A1NT
Indication Depression [ICD11: 6A71] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 257.329 Topological Polar Surface Area 21.7
Heavy Atom Count 19 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
36109
ChEBI ID
CHEBI:135061
CAS Number
32359-34-5
Formula
C16H19NO2
Canonical SMILES
CN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKey
QNMGHBMGNRQPNL-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
Acidic medifoxamine DM002633 N. A. Unclear 1 [3]
Hydroxymedifoxamine DM002634
102058216
Oxidation - Hydroxylation 1 [4]
N-desmethylmedifoxamine DM002631
2773881
Oxidation - N-Demethylation 1 [5]
N-oxide medifoxamine DM002632
2773883
Oxidation - N-Oxidation 1 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001614 Medifoxamine N-desmethylmedifoxamine Oxidation - N-Demethylation Unclear [5]
MR001615 Medifoxamine N-oxide medifoxamine Oxidation - N-Oxidation Unclear [6]
MR001616 Medifoxamine Acidic medifoxamine Unclear Unclear [3]
MR001617 Medifoxamine Hydroxymedifoxamine Oxidation - Hydroxylation Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Hepatic tolerance of atypical antipsychotic drugs. Encephale. 2002 Nov-Dec;28(6 Pt 1):542-51.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Solid-phase extraction of diltiazem and its metabolites from plasma prior to high-performance liquid chromatography J Chromatogr. 1990 Jun 29;528(2):542-6. doi: 10.1016/s0378-4347(00)82416-0.
4 Clot-bound thrombin is protected from inhibition by heparin-antithrombin III but is susceptible to inactivation by antithrombin III-independent inhibitors J Clin Invest. 1990 Aug;86(2):385-91. doi: 10.1172/JCI114723.
5 Measurement of medifoxamine metabolites in urine by high-performance liquid chromatography J Chromatogr. 1990 Jun 29;528(2):531-6. doi: 10.1016/s0378-4347(00)82414-7.
6 Simple and practical high-performance liquid chromatographic assay of propofol in human blood by phenyl column chromatography with electrochemical detection J Chromatogr. 1990 Jun 29;528(2):537-41. doi: 10.1016/s0378-4347(00)82415-9.

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