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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.