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

General Information of Drug (ID: DR0862)
Drug Name
Imipramine oxide
Synonyms
Elepsin; Imipramine N-oxide; Imipramine oxide; Imipraminoxide; Imipraminoxide (INN); Imipraminoxide [INN]; Imipraminoxido; Imipraminoxidum; 5-(3-(Dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine 5-oxide; 5-[3-(Dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine N-oxide; 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, N-oxide; 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, N-oxide; 6829-98-7; 8MKS280XJW; UNII-8MKS280XJW
Indication Depression [ICD11: 6A71] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 296.4 Topological Polar Surface Area 21.3
Heavy Atom Count 22 Rotatable Bond Count 4
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
65589
ChEBI ID
CHEBI:135256
CAS Number
6829-98-7
Formula
C19H24N2O
Canonical SMILES
C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]
InChI
1S/C19H24N2O/c1-21(2,22)15-7-14-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11H,7,12-15H2,1-2H3
InChIKey
QZIQORUGXBPDSU-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
Desipramine DM004232
2995
Unclear 1 [3]
Imipramine DM004231
3696
Unclear 1 [4]
2-OH-imipramine DM004234 N. A. Unclear 2 [4]
Desipramine DM004232
2995
Unclear 2 [4] , [5]
2-OH-desipramine DM004233 N. A. Unclear 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004624 Imipramine oxide Imipramine Unclear Unclear [4]
MR004628 Imipramine oxide Desipramine Unclear Unclear [3]
MR004625 Imipramine Desipramine Unclear CYP1A2 ... [4], [5]
MR004627 Imipramine 2-OH-imipramine Unclear Unclear [4]
MR004626 Desipramine 2-OH-desipramine Unclear Unclear [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 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 National Center for Advancing Translational Science-Inxight: drug (8MKS280XJW)
2 Major pathway of imipramine metabolism is catalyzed by cytochromes P-450 1A2 and P-450 3A4 in human liver. Mol Pharmacol. 1993 May;43(5):827-32.
3 The kinetics of imipramine-N-oxide in rats
4 Imipramine metabolites in blood of patients during therapy and after overdose
5 Deletion of the mouse Fmo1 gene results in enhanced pharmacological behavioural responses to imipramine

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