Details of the Drug

General Information of Drug (ID: DMJSBFU)

Drug Name
2-(4-Phenoxy-benzyl)-3H-benzoimidazol-5-ylamine
Synonyms CHEMBL65119
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) 315.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H17N3O
IUPAC Name
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-amine
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CC3=NC4=C(N3)C=C(C=C4)N
InChI
InChI=1S/C20H17N3O/c21-15-8-11-18-19(13-15)23-20(22-18)12-14-6-9-17(10-7-14)24-16-4-2-1-3-5-16/h1-11,13H,12,21H2,(H,22,23)
InChIKey
KVTYWLATLSZWKO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9883372
ChEBI ID
CHEMBL65119
TTD ID
D01BQD
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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.