Details of the Drug

General Information of Drug (ID: DMRUTDY)

Drug Name

2-(pyridin-2-yl)-1H-benzo[d]imidazole

Synonyms

2-(2-Pyridyl)benzimidazole; 1137-68-4; 2-(pyridin-2-yl)-1H-benzo[d]imidazole; 2-pyridin-2-yl-1H-benzimidazole; 2-Pyridin-2-yl-1H-benzoimidazole; 2-(pyridin-2-yl)-1H-benzimidazole; NSC 32814; NSC 110942; CHEMBL72683; YNFBMDWHEHETJW-UHFFFAOYSA-N; 1H-Benzimidazole, 2-(pyridinyl)-; 1H-Benzimidazole, 2-(2-pyridinyl)-; 2-(pyridin-2-yl)-1H-1,3-benzodiazole; 2-(2-Pyridyl)benzimidazole, 99%; EINECS 214-508-7; ACMC-20aime; AC1L2EXP; 2(2-Pyridyl)benzimidazole; 2-(2'-Pyrido)benzimidazole; MLS000554415; 2-(2-pyridyl) benzimidazole

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)

195.22

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: C12H9N3
IUPAC Name: 2-pyridin-2-yl-1H-benzimidazole
Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC=CC=N3
InChI: InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
InChIKey: YNFBMDWHEHETJW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 70821
CAS Number: 1137-68-4
TTD ID: D0L4YF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Methionine aminopeptidase 2 (METAP2)	TTZL0OI	MAP2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors, Bioorg. Med. Chem. Lett. 20(14):4038-4044 (2010).