Details of the Drug

General Information of Drug (ID: DM8YPH0)

Drug Name

1-Phenyl-1H-benzoimidazole

Synonyms

1-Phenyl-1H-benzoimidazole; 2622-60-8; 1-phenyl-1H-benzo[d]imidazole; 1-phenylbenzimidazole; 1-Phenyl-1H-benzimidazole; 97542-80-8; 1H-Benzimidazole,1-phenyl-; BAS 00350928; 1H-Benzimidazole, 1-phenyl-; XNCMQRWVMWLODV-UHFFFAOYSA-N; 1-PHENYL-1H-1,3-BENZODIAZOLE; AK123264; AC1LCTXI; PubChem19972; 1-Phenyl benzoimidazole; 1-Phenylbenzimidazole 3; phenyl-1H- Benzimidazole; 1-phenyl-1,3-benzodiazole; MLS000765952; SCHEMBL157265; 1-Phenyl-1H-benzimidazole #; CHEMBL310080; BDBM3794; CTK4F7433; DTXSID10345732; 1-Phenylbenzimidazole deriv.

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)

194.23

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H10N2
IUPAC Name: 1-phenylbenzimidazole
Canonical SMILES: C1=CC=C(C=C1)N2C=NC3=CC=CC=C32
InChI: InChI=1S/C13H10N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-10H
InChIKey: XNCMQRWVMWLODV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 606669
CAS Number: 2622-60-8
TTD ID: D01FWD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-derived growth factor receptor alpha (PDGFRA)	TT8FYO9	PGFRA_HUMAN	Inhibitor	[1]
Platelet-derived growth factor receptor beta (PDGFRB)	TTI7421	PGFRB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Platelet-derived growth factor receptor beta (PDGFRB)	DTT	PDGFRB	5.35E-10	0.36	0.89

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Structure-activity relationships for 1-phenylbenzimidazoles as selective ATP site inhibitors of the platelet-derived growth factor receptor. J Med Chem. 1998 Dec 31;41(27):5457-65.