Details of the Drug

General Information of Drug (ID: DMJ59A4)

Drug Name
MOFEGILINE
Synonyms
Mofegiline; Mofegiline (free base); UNII-1FMJ6D8Y1B; MDL 72974; 119386-96-8; MDL-72,974; 1FMJ6D8Y1B; CHEMBL489079; C11H13F2N; (E)-2-(Fluoromethylene)-4-(p-fluorophenyl)butylamine; Benzenebutanamine, 4-fluoro-beta-(fluoromethylene)-, (E)-; (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine; Mofegiline [INN]; AC1O5OIU; 4-fluoro-beta-(fluoromethylene)benzenebutanamine; SCHEMBL1295041; GTPL9754; VXLBSYHAEKDUSU-JXMROGBWSA-N; ZINC1542534; Mofegiline Hydrochloride (free base); MDL-72974; BDBM50246766; AKOS006271451; LS-172413
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 197.22
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H13F2N
IUPAC Name
(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine
Canonical SMILES
C1=CC(=CC=C1CC/C(=C\\F)/CN)F
InChI
InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
InChIKey
VXLBSYHAEKDUSU-JXMROGBWSA-N
Cross-matching ID
PubChem CID
6437850
CAS Number
119386-96-8
TTD ID
D01LAC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Modulator [2], [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cognitive impairment
ICD Disease Classification 6D71
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002656)
2 Structural and mechanistic studies of mofegiline inhibition of recombinant human monoamine oxidase B. J Med Chem. 2008 Dec 25;51(24):8019-26.
3 Pharmacokinetics and pharmacodynamics of the monoamine oxidase B inhibitor mofegiline assessed during a phase I dose tolerance trial. Clin Pharmacol Ther. 1995 Sep;58(3):342-53.
4 Emerging drugs for Parkinson's disease. Expert Opin Emerg Drugs. 2006 Sep;11(3):403-17.
5 Limitation of adipose tissue enlargement in rats chronically treated with semicarbazide-sensitive amine oxidase and monoamine oxidase inhibitors. Pharmacol Res. 2008 Jun;57(6):426-34.
6 Tranylcypromine: new perspectives on an "old" drug. Eur Arch Psychiatry Clin Neurosci. 2006 Aug;256(5):268-73.
7 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2490).
8 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
9 Glyceraldehyde-3-phosphate dehydrogenase-monoamine oxidase B-mediated cell death-induced by ethanol is prevented by rasagiline and 1-R-aminoindan. Neurotox Res. 2009 Aug;16(2):148-59.
10 Novel monoamine oxidase inhibitors, 3-(2-aminoethoxy)-1,2-benzisoxazole derivatives, and their differential reversibility. Jpn J Pharmacol. 2002 Feb;88(2):174-82.
11 Dose-dependent activation of distinct hypertrophic pathways by serotonin in cardiac cells. Am J Physiol Heart Circ Physiol. 2009 Aug;297(2):H821-8.
12 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
13 Multiple mechanisms of action: the pharmacological profile of budipine. J Neural Transm Suppl. 1999;56:83-105.