Details of the Drug

General Information of Drug (ID: DM26MIC)

Drug Name
5-Nitro-2-(4-phenoxy-phenyl)-1H-benzoimidazole
Synonyms CHEMBL175481; 5-Nitro-2-(4-phenoxy-phenyl)-1H-benzoimidazole
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) 331.3
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H13N3O3
IUPAC Name
6-nitro-2-(4-phenoxyphenyl)-1H-benzimidazole
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H13N3O3/c23-22(24)14-8-11-17-18(12-14)21-19(20-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H,20,21)
InChIKey
ZBWXPJPIZQAKGA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11325003
ChEBI ID
CHEMBL175481
TTD ID
D0D3AS
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine/threonine-protein kinase Chk2 (RAD53) TT9ABMF CHK2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Checkpoint kinase inhibitors: SAR and radioprotective properties of a series of 2-arylbenzimidazoles. J Med Chem. 2005 Mar 24;48(6):1873-85.