Details of the Drug

General Information of Drug (ID: DM3HANW)

Drug Name

2-(4-Phenoxy-benzyl)-3H-benzoimidazol-4-ol

Synonyms

CHEMBL63924

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)

316.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H16N2O2
IUPAC Name: 2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-4-ol
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CC3=NC4=C(N3)C=CC=C4O
InChI: InChI=1S/C20H16N2O2/c23-18-8-4-7-17-20(18)22-19(21-17)13-14-9-11-16(12-10-14)24-15-5-2-1-3-6-15/h1-12,23H,13H2,(H,21,22)
InChIKey: MRBKMMZUVLPGTA-UHFFFAOYSA-N

Cross-matching ID

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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.