Details of the Drug

General Information of Drug (ID: DMO01T8)

Drug Name

Trans-2-fluoro-2-(4-fluorophenyl)cyclopropanamine

Synonyms

CHEMBL447729; trans-2-fluoro-2-(4-fluorophenyl)cyclopropanamine

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)

169.17

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H9F2N
IUPAC Name: (1S,2S)-2-fluoro-2-(4-fluorophenyl)cyclopropan-1-amine
Canonical SMILES: C1[C@@H]([C@]1(C2=CC=C(C=C2)F)F)N
InChI: InChI=1S/C9H9F2N/c10-7-3-1-6(2-4-7)9(11)5-8(9)12/h1-4,8H,5,12H2/t8-,9-/m0/s1
InChIKey: JCUGJWBVZNWAIJ-IUCAKERBSA-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 A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]
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
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

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.