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

General Information of Drug (ID: DR0211)
Drug Name
DOV-220075
Synonyms
AZA001; BICIFADINE; DOV-220075; MCV-4147; NIH-9542; OFYVIGTWSQPCLF-UHFFFAOYSA-N; PubChem18323; 1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane; 1-(p-Tolyl)-3-azabicyclo[3.1.0]hexane; 1-(p-tolyl)-3-azabicyclo[3.1.0]-hexane; 1-p-tolyl-3-azabicyclo[3.1.0]hexane; 3-Azabicyclo[3.1.0]hexane, 1-(4-methylphenyl)-; 5-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane; 5-(p-tolyl)-3-azabicyclo[3.1.0]hexane; 71195-57-8; AC1L2J2O; AKOS006271730; AM20041063; AN-3206; BDBM50417944; CHEMBL511099; CL-220075; DB04889; FT-0718156; HMS3743C09; SCHEMBL38793
Indication Depression [ICD11: 6A71] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 173.25 Topological Polar Surface Area 12
Heavy Atom Count 13 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
47953
PubChem SID
8180475 ; 12015676 ; 15147197 ; 33622062 ; 34712882 ; 57313166 ; 79431140 ; 103585713 ; 104354237 ; 126418129 ; 126684829 ; 128803524 ; 131324463 ; 132554357 ; 134339221 ; 134357076 ; 135047654 ; 136996475 ; 137006897 ; 139258240 ; 143493258 ; 152238496 ; 162121875 ; 163366968 ; 170495860 ; 175426892 ; 179150997 ; 223679616 ; 224051267 ; 226424261 ; 241117407 ; 249808189
CAS Number
71195-57-8
TTD Drug ID
D03QIE
Formula
C12H15N
Canonical SMILES
CC1=CC=C(C=C1)C23CC2CNC3
InChI
1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3
InChIKey
OFYVIGTWSQPCLF-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
DOV-220075 Metabolite M10 DM018075 N. A. Unclear - Unclear 1 [2]
DOV-220075 Metabolite M11 DM018077 N. A. Unclear - Unclear 1 [2]
DOV-220075 Metabolite M12 DM015791
11858254
Unclear - Unclear 1 [2]
DOV-220075 Metabolite M14 DM018078 N. A. Unclear - Unclear 1 [2]
DOV-220075 Metabolite M2 DM015824
13279035
Unclear - Unclear 1 [2]
DOV-220075 Metabolite M1 DM018076 N. A. Unclear - Unclear 2 [2]
DOV-220075 Metabolite M3 DM015936
16049223
Unclear - Unclear 2 [2]
DOV-220075 Metabolite M8 DM018072 N. A. Unclear - Unclear 2 [2]
DOV-220075 Metabolite M7 DM018074 N. A. Unclear - Unclear 3 [2]
DOV-220075 Metabolite M9 DM018073 N. A. Unclear - Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009912 DOV-220075 DOV-220075 Metabolite M12 Unclear - Unclear MAO-B ... [2]
MR009916 DOV-220075 DOV-220075 Metabolite M2 Unclear - Unclear Unclear [2]
MR009918 DOV-220075 DOV-220075 Metabolite M10 Unclear - Unclear Unclear [2]
MR009920 DOV-220075 DOV-220075 Metabolite M11 Unclear - Unclear Unclear [2]
MR009921 DOV-220075 DOV-220075 Metabolite M14 Unclear - Unclear Unclear [2]
MR009919 DOV-220075 Metabolite M10 DOV-220075 Metabolite M1 Unclear - Unclear Unclear [2]
MR009913 DOV-220075 Metabolite M12 DOV-220075 Metabolite M8 Unclear - Unclear Unclear [2]
MR009917 DOV-220075 Metabolite M2 DOV-220075 Metabolite M3 Unclear - Unclear Unclear [2]
MR009914 DOV-220075 Metabolite M8 DOV-220075 Metabolite M9 Unclear - Unclear Unclear [2]
MR009915 DOV-220075 Metabolite M8 DOV-220075 Metabolite M7 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 10 MR(s)
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 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Monoamine oxidase type B (MAO-B) DME0045 Homo sapiens
AOFB_HUMAN
1.4.3.4
[2]
References
1 Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
2 In vitro metabolism of the analgesic bicifadine in the mouse, rat, monkey, and human. Drug Metab Dispos. 2007 Dec;35(12):2232-41.

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