Details of the Drug

General Information of Drug (ID: DMDZ9RK)

Drug Name

2-(5-phenyl-furan-2-yl)-4,5-dihydro-1H-imidazole

Synonyms

furaline; CHEMBL213439; SCHEMBL11783413

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)

212.25

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H12N2O
IUPAC Name: 2-(5-phenylfuran-2-yl)-4,5-dihydro-1H-imidazole
Canonical SMILES: C1CN=C(N1)C2=CC=C(O2)C3=CC=CC=C3
InChI: InChI=1S/C13H12N2O/c1-2-4-10(5-3-1)11-6-7-12(16-11)13-14-8-9-15-13/h1-7H,8-9H2,(H,14,15)
InChIKey: HNPLGLAMYJQFOS-UHFFFAOYSA-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	3-[5-(4,5-dihydro-1H-imidazol-2-yl)-furan-2-yl]phenylamine (Amifuraline), a promising reversible and selective peripheral MAO-A inhibitor. J Med Chem. 2006 Sep 7;49(18):5578-86.