Details of the Drug

General Information of Drug (ID: DMFSPHE)

Drug Name

Cis-2-fluoro-2-phenylcyclopropanamine

Synonyms

CHEMBL466769; cis-2-fluoro-2-phenylcyclopropanamine; SCHEMBL16010002; ZINC13584960; BDBM50261916; AKOS027415699; 784133-88-6; KB-276212

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)

151.18

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C9H10FN
IUPAC Name: (1R,2S)-2-fluoro-2-phenylcyclopropan-1-amine
Canonical SMILES: C1[C@H]([C@]1(C2=CC=CC=C2)F)N
InChI: InChI=1S/C9H10FN/c10-9(6-8(9)11)7-4-2-1-3-5-7/h1-5,8H,6,11H2/t8-,9+/m1/s1
InChIKey: UJTQURLMCYMANH-BDAKNGLRSA-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.