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

General Information of Drug (ID: DR3031)
Drug Name
DOV-216303
Synonyms
66504-40-3; CHEMBL528995; 3-Azabicyclo[3.1.0]hexane, 1-(3,4-dichlorophenyl)-; SCHEMBL79279; SCHEMBL9604846; CTK1J4675; MolPort-035-942-269; BSMNRYCSBFHEMQ-UHFFFAOYSA-N; DOV-2947; BDBM50243895; AKOS025396236; FCH1601649; SB10890; KB-50426; AS-51627; AK173863; CS-0052898; KS-00000461
Indication Mood disorder [ICD11: 6A60-6E23] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 228.11 Topological Polar Surface Area 12
Heavy Atom Count 14 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
9795276
TTD Drug ID
D0H9GQ
Formula
C11H11Cl2N
Canonical SMILES
C1C2C1(CNC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
InChIKey
BSMNRYCSBFHEMQ-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
Lactam EB-10101 DM016205
58854746
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013802 DOV-216303 Lactam EB-10101 Unclear - Unclear MAOA [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Monoamine oxidase type A (MAO-A) DME0044 Homo sapiens
AOFA_HUMAN
1.4.3.4
[2]
References
1 Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
2 Biopharmaceutical characterization, metabolism, and brain penetration of the triple reuptake inhibitor amitifadine

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