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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 197.22
  Logarithm of the Partition Coefficient (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
  ChEBI ID: CHEMBL489079
  CAS Number: 119386-96-8
  TTD ID: D01LAC
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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]

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

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.