Details of the Drug

General Information of Drug (ID: DM054NF)

Drug Name

N-(1H-benzo[d]imidazol-2-yl)-3-cyanobenzamide

Synonyms

CHEMBL426133; AC1MAT99; N-(1H-benzo[d]imidazol-2-yl)-3-cyanobenzamide; MolPort-004-136-030; ZINC6082995; BDBM50184703; AKOS008916776; MCULE-9954960051; N-(1H-benzimidazol-2-yl)-3-cyanobenzamide; N-(1H-1,3-benzodiazol-2-yl)-3-cyanobenzamide; Z27664939

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)

262.27

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H10N4O
IUPAC Name: N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=CC(=C3)C#N
InChI: InChI=1S/C15H10N4O/c16-9-10-4-3-5-11(8-10)14(20)19-15-17-12-6-1-2-7-13(12)18-15/h1-8H,(H2,17,18,19,20)
InChIKey: JSWLIGOCNPPDTR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2635761
TTD ID: D0LY5S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
IRAK4 messenger RNA (IRAK4 mRNA)	TTILUKB	IRAK4_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery and initial SAR of inhibitors of interleukin-1 receptor-associated kinase-4. Bioorg Med Chem Lett. 2006 Jun 1;16(11):2842-5.