Details of the Drug

General Information of Drug (ID: DMPUOXF)

Drug Name
Opipramol
Synonyms Opipramolo; Opipramolum; Opipramol dihydrochloride; Opipramol hydrochloride; Opipramoli hydrochloridum; G 33 040
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 363.5
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H29N3O
IUPAC Name
2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
Canonical SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO
InChI
InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
InChIKey
YNZFUWZUGRBMHL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9417
ChEBI ID
CHEBI:94614
CAS Number
315-72-0
DrugBank ID
DB12930
TTD ID
D0D7TB
INTEDE ID
DR1202
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME 		DECB0K3 CP2D6_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.