Details of the Drug

General Information of Drug (ID: DM65IF1)

Drug Name
2-(4-Phenoxy-benzyl)-1H-benzoimidazole
Synonyms CHEMBL67249; SCHEMBL7510229
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) 300.4
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H16N2O
IUPAC Name
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H16N2O/c1-2-6-16(7-3-1)23-17-12-10-15(11-13-17)14-20-21-18-8-4-5-9-19(18)22-20/h1-13H,14H2,(H,21,22)
InChIKey
HWTRVTWTEQIXOY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9817808
ChEBI ID
CHEMBL67249
TTD ID
D04ZFH
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [1]
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References

1 NR2B-selective N-methyl-D-aspartate antagonists: synthesis and evaluation of 5-substituted benzimidazoles. J Med Chem. 2004 Apr 8;47(8):2089-96.