Details of the Drug

General Information of Drug (ID: DMZKABS)

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
ATC Code
N06AA03: Imipramine oxide
N06AA: Non-selective monoamine reuptake inhibitors
N06A: ANTIDEPRESSANTS
N06: PSYCHOANALEPTICS
N: NERVOUS SYSTEM
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 296.4
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 12 mL/min/kg [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 1.8 hours [1]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.9 L/kg [1]
Chemical Identifiers
Formula
C19H24N2O
IUPAC Name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide
Canonical SMILES
C[N+](C)(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]
InChI
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
Cross-matching ID
PubChem CID
65589
ChEBI ID
CHEMBL135256
CAS Number
6829-98-7
UNII
8MKS280XJW
DrugBank ID
DB13782
INTEDE ID
DR0862
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cytochrome P450 2C19 (CYP2C19) OTFMJYYE CP2CJ_HUMAN Regulation of Drug Effects [3]
Flavin-containing monooxygenase 3 (FMO3) OT1G2EV3 FMO3_HUMAN Regulation of Drug Effects [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
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 What is the contribution of human FMO3 in the N-oxygenation of selected therapeutic drugs and drugs of abuse?. Toxicol Lett. 2016 Sep 6;258:55-70. doi: 10.1016/j.toxlet.2016.06.013. Epub 2016 Jun 15.