Details of the Drug

General Information of Drug (ID: DMZP3XJ)

Drug Name

6-Methoxy-2-(4-phenoxy-benzyl)-1H-benzoimidazole

Synonyms

CHEMBL67196

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

330.4

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H18N2O2
IUPAC Name: 6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
Canonical SMILES: COC1=CC2=C(C=C1)N=C(N2)CC3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C21H18N2O2/c1-24-18-11-12-19-20(14-18)23-21(22-19)13-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,22,23)
InChIKey: QXVTTYRBOJXPRC-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]

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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.