Details of the Drug

General Information of Drug (ID: DM26MIC)

Drug Name

5-Nitro-2-(4-phenoxy-phenyl)-1H-benzoimidazole

Synonyms

CHEMBL175481; 5-Nitro-2-(4-phenoxy-phenyl)-1H-benzoimidazole

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)

331.3

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H13N3O3
IUPAC Name: 6-nitro-2-(4-phenoxyphenyl)-1H-benzimidazole
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C19H13N3O3/c23-22(24)14-8-11-17-18(12-14)21-19(20-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H,20,21)
InChIKey: ZBWXPJPIZQAKGA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serine/threonine-protein kinase Chk2 (RAD53)	TT9ABMF	CHK2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Checkpoint kinase inhibitors: SAR and radioprotective properties of a series of 2-arylbenzimidazoles. J Med Chem. 2005 Mar 24;48(6):1873-85.