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
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
QZIQORUGXBPDSU-UHFFFAOYSA-N
InChIKey
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
Cross-matching ID
PubChem CID
65589
ChEBI ID
CHEBI:135256
CAS Number
6829-98-7
DrugBank ID
DB13782
INTEDE ID
DR0862

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 1A2 (CYP1A2) OTLLBX48 CP1A2_HUMAN Regulation of Drug Effects [3]
Cytochrome P450 2B6 (CYP2B6) OTOYO4S7 CP2B6_HUMAN Regulation of Drug Effects [3]
Cytochrome P450 2C19 (CYP2C19) OTFMJYYE CP2CJ_HUMAN Regulation of Drug Effects [3]
Cytochrome P450 2D6 (CYP2D6) OTZJC802 CP2D6_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.