Details of the Drug

General Information of Drug (ID: DMZTXDV)

Drug Name

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

Synonyms

CHEMBL63146

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): 1

Molecular Weight (mw)

345.4

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H15N3O3
IUPAC Name: 6-nitro-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H15N3O3/c24-23(25)15-8-11-18-19(13-15)22-20(21-18)12-14-6-9-17(10-7-14)26-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,21,22)
InChIKey: VRLHOPLBQZRORF-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.