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]
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
ChEBI ID
CHEMBL352049
CAS Number
7471-12-7
TTD ID
D0C0UB
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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]
Molecular Interaction Atlas (MIA) 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).