Details of the Drug

General Information of Drug (ID: DMEA8WP)

Drug Name
5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
Synonyms
875468-81-8; CHEMBL199982; 5-FLUORO-2-(2-PYRIDYL)-1H-BENZIMIDAZOLE; 1H-Benzimidazole, 6-fluoro-2-(2-pyridinyl)-; 6-fluoro-2-(pyridin-2-yl)-1H-1,3-benzodiazole; 5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole; SCHEMBL124265; DTXSID90470258; MolPort-009-677-335; MolPort-027-941-496; ZINC13679485; BDBM50180735; AKOS010206775; NE40467; PC450144; KB-87704; BC4242268; 5-fluoro-2-pyridin-2-yl-1H-benzoimidazole; TL80090069; US8748618, LD-1-31
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) 213.21
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H8FN3
IUPAC Name
6-fluoro-2-pyridin-2-yl-1H-benzimidazole
Canonical SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)F
InChI
InChI=1S/C12H8FN3/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
AUSVDSQFCRIAEX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11665659
ChEBI ID
CHEMBL199982
CAS Number
875468-81-8
TTD ID
D07PXR
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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).