Details of the Drug

General Information of Drug (ID: DMAR4ZF)

Drug Name

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

Synonyms

CHEMBL352049; 5-Methyl-2-pyridin-2-yl-1H-benzoimidazole; 7471-12-7; NSC403547; AC1L83HW; TimTec1_008296; 5-methyl-2-(pyridin-2-yl)-1H-benzo[d]imidazole; SCHEMBL124267; SCHEMBL12119033; DTXSID20323304; HMS1557J02; CCG-24525; BDBM50180733; ZINC12481420; AKOS002999038; AKOS000636609; NSC-403547; BAS 06347449; 6-methyl-2-pyridin-2-yl-1H-benzimidazole; 6-Methyl-2-(2-pyridyl)-1H-benzimidazole; KB-249126; US8748618, LD-2-11; 6-methyl-2-pyridin-2-yl-1h-benzo[d]imidazole

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)

2.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H11N3
IUPAC Name: 6-methyl-2-pyridin-2-yl-1H-benzimidazole
Canonical SMILES: CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=N3
InChI: InChI=1S/C13H11N3/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11/h2-8H,1H3,(H,15,16)
InChIKey: HFYFOFMVURXVSD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 345772
CAS Number: 7471-12-7
TTD ID: D0C0UB

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).