Details of the Drug

General Information of Drug (ID: DMDNUCL)

Drug Name

N-(3,5-dichlorophenyl)-2-nitrobenzamide

Synonyms

N-(3,5-dichlorophenyl)-2-nitrobenzamide; CHEMBL564612; AC1LEFLS; AC1Q1WV0; Oprea1_875451; Oprea1_856946; ZINC103151; BDBM50297529; AKOS002518902; MCULE-6306742768; ST011167; KB-101427

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)

311.12

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H8Cl2N2O3
IUPAC Name: N-(3,5-dichlorophenyl)-2-nitrobenzamide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C13H8Cl2N2O3/c14-8-5-9(15)7-10(6-8)16-13(18)11-3-1-2-4-12(11)17(19)20/h1-7H,(H,16,18)
InChIKey: RHMRIXDZQJDDKE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 711431
CAS Number: 316142-28-6
TTD ID: D05OQF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Fatty acid synthetase I (Bact inhA)	TTVTX4N	INHA_MYCTU	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of potential new InhA direct inhibitors based on pharmacophore and 3D-QSAR analysis followed by in silico screening. Eur J Med Chem. 2009 Sep;44(9):3718-30.