Details of the Drug

General Information of Drug (ID: DM7AOGD)

Drug Name

4-Benzoimidazol-1-yl-phenylamine

Synonyms

4-(1H-benzimidazol-1-yl)aniline; 52708-36-8; 4-(1H-Benzo[d]imidazol-1-yl)aniline; 4-(1H-1,3-benzodiazol-1-yl)aniline; 4-benzimidazolylphenylamine; AC1NS4KU; 4-(benzimidazol-1-yl)aniline; AC1Q51W1; SCHEMBL1208951; BDBM3829; CHEMBL346870; CTK1H4832; DTXSID80416160; 1-Phenylbenzimidazole deriv. 46; MolPort-000-892-003; ZINC2538824; 7454AB; STK122023; 1-(4-Aminophenyl)-1H-benzimidazole; SBB022485; AKOS000200797; MCULE-3811873515; AJ-38769; DA-18573; Benzenamine, 4-(1H-benzimidazol-1-yl)-; KB-237102; ST45055167; FT-0748937; EN300-14992

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)

209.25

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H11N3
IUPAC Name: 4-(benzimidazol-1-yl)aniline
Canonical SMILES: C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)N
InChI: InChI=1S/C13H11N3/c14-10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16/h1-9H,14H2
InChIKey: DWYMPMWWYZEKLQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5328453
CAS Number: 52708-36-8
TTD ID: D01MUN

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

Jump to Detail Molecular Interaction Atlas of This Drug

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.