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

General Information of Drug (ID: DR1202)
Drug Name
G-33040
Synonyms
Ensidon; Insidon; Opipramol HCl; Opipramol dihydrochloride; Opipramol hydrochloride; Opipramol hydrochloride [USAN]; Pramolan; 1-Piperazineethanol, 4-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-, dihydrochloride; 4-(3-(5H-Dibenz(b,f)azepin-5-yl)propyl)-1-piperazineethanol dihydrochloride; 4-[3-(5H-Dibenz[b,f]azepin-5-yl)propyl]-1-piperazineethanol dihydrochloride; 909-39-7; B49OBI656M; EINECS 213-000-2; G 33040; NCGC00093619-02; UNII-B49OBI656M
Indication Anxiety disorder [ICD11: 6B00] Phase 1/2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 436.4 Topological Polar Surface Area 30
Heavy Atom Count 29 Rotatable Bond Count 6
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
71587
CAS Number
909-39-7
TTD Drug ID
D0D7TB
Formula
C23H31Cl2N3O
Canonical SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO.Cl.Cl
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
DLTOEESOSYKJBK-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
Deshydroxyethyl opipramol DM005724
85823160
Oxidation - Decarboxylation 1 [3]
Dibenzazepine DM005729
11454028
Oxidation - Oxidationn 1 [3]
Opipramol-N-oxide DM005728
101946685
Oxidation - Oxidationn 1 [3]
Oxidation product of the hydroxyethyl moiety DM005726
101946678
Oxidation - Oxidationn 1 [3]
Decarboxylation product DM005727
71156779
Oxidation - Decarboxylation 2 [3]
N-acetyl opipramol DM005725 N. A. Oxidation - Oxidationn 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006108 G-33040 Deshydroxyethyl opipramol Oxidation - Decarboxylation CYP2D6 [3]
MR006110 G-33040 Oxidation product of the hydroxyethyl moiety Oxidation - Oxidationn CYP2D6 [3]
MR006112 G-33040 Opipramol-N-oxide Oxidation - Oxidationn CYP2D6 [3]
MR006113 G-33040 Dibenzazepine Oxidation - Oxidationn CYP2D6 [3]
MR006109 Deshydroxyethyl opipramol N-acetyl opipramol Oxidation - Oxidationn CYP2D6 [3]
MR006111 Oxidation product of the hydroxyethyl moiety Decarboxylation product Oxidation - Decarboxylation CYP2D6 [3]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 Psychopharmacotherapy of somatoform disorders: effects of opipramol on symptoms of somatization, anxiety, and depression. Acta Neuropsychiatr. 2003 Aug;15(4):217-26.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Identification and determination of opipramol metabolites in plasma and urine

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