Details of the Drug

General Information of Drug (ID: DM5COQ9)

Drug Name

N-(2,4-dichlorophenyl)-2-nitrobenzamide

Synonyms

N-(2,4-dichlorophenyl)-2-nitrobenzamide; CHEMBL558336; AC1LEZX8; Oprea1_748203; CBDivE_011688; ZINC69333; MolPort-001-485-938; STK416331; BDBM50297540; AKOS002953648; MCULE-3862746701; ST011164; AB00076626-01; AK-968/40072495

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)

3.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

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

Cross-matching ID

PubChem CID: 695266
TTD ID: D0N4IT

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.