Details of the Drug

General Information of Drug (ID: DMNG9B2)

Drug Name

Cis-2-Fluoro-2-(4-methoxyphenyl)cyclopropylamine

Synonyms

CHEMBL468854; cis-2-Fluoro-2-(4-methoxyphenyl)cyclopropylamine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

181.21

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H12FNO
IUPAC Name: (1R,2S)-2-fluoro-2-(4-methoxyphenyl)cyclopropan-1-amine
Canonical SMILES: COC1=CC=C(C=C1)[C@]2(C[C@H]2N)F
InChI: InChI=1S/C10H12FNO/c1-13-8-4-2-7(3-5-8)10(11)6-9(10)12/h2-5,9H,6,12H2,1H3/t9-,10+/m1/s1
InChIKey: IFVJHRWUMHINNO-ZJUUUORDSA-N

Cross-matching ID

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	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

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)

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References

1	Fluorinated phenylcyclopropylamines. Part 5: Effects of electron-withdrawing or -donating aryl substituents on the inhibition of monoamine oxidases... Bioorg Med Chem. 2008 Aug 1;16(15):7148-66.