Details of the Drug

General Information of Drug (ID: DMJBHR9)

Drug Name

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

Synonyms

63053-15-6; 6-chloro-2-(pyridin-2-yl)-1H-1,3-benzodiazole; 1H-Benzimidazole, 6-chloro-2-(2-pyridinyl)-; CHEMBL166127; 5-chloro-2-pyridin-2-yl-3H-benzoimidazole; 5-chlor-2-(2-pyridinyl)-1h-benzimidazol; AC1L4JHX; AC1Q3S8V; 5-chloro-2-(pyridin-2-yl)-1H-benzo[d]imidazole; SCHEMBL124391; CTK2F4016; MolPort-006-709-924; KS-00001PG4; BDBM50180732; ZINC13679488; AKOS008957084; AKOS005256857; NE28766; MCULE-2896710700; 6-chloro-2-pyridin-2-yl-1H-benzimidazole; 2-(2-Pyridyl)-5-chloro-1H-benzoimidazole

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)

229.66

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H8ClN3
IUPAC Name: 6-chloro-2-pyridin-2-yl-1H-benzimidazole
Canonical SMILES: C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)Cl
InChI: InChI=1S/C12H8ClN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)
InChIKey: AIASBFLKLNIZOK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 186763
CAS Number: 63053-15-6
TTD ID: D04MIY

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).