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

General Information of Drug (ID: DR3537)
Drug Name
Amitifadine
Synonyms EB-1010
Indication Obesity [ICD11: 5B80-5B81] Phase 3 [1]
Alcohol dependence [ICD11: ICD11: 6C40] Phase 2 [2]
Mood disorder [ICD11: ICD11: 6A60-6E23] Phase 2 [3]
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
11658655
CAS Number
410074-73-6
TTD Drug ID
D04PXS
Formula
C11H11Cl2N
Canonical SMILES
C1[C@H]2[C@@]1(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/t8-,11+/m1/s1
InChIKey
BSMNRYCSBFHEMQ-KCJUWKMLSA-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 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009109 Amitifadine Lactam EB-10101 Unclear - Unclear MAOA [4]
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
[4]
References
1 DOV 216,303, a "triple" reuptake inhibitor: safety, tolerability, and pharmacokinetic profile. J Clin Pharmacol. 2004 Dec;44(12):1360-7.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
4 Biopharmaceutical characterization, metabolism, and brain penetration of the triple reuptake inhibitor amitifadine

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