Details of the Drug

General Information of Drug (ID: DMHJOBQ)

Drug Name

N-(2,4-dichlorophenyl)-4-methyl-3-nitrobenzamide

Synonyms

N-(2,4-dichlorophenyl)-4-methyl-3-nitrobenzamide; CHEMBL551683; AC1Q2ECP; AC1LEFA7; Oprea1_406651; ZINC102894; BDBM50297547; AKOS002953737; MCULE-2443287207; ST011073

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)

325.1

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H10Cl2N2O3
IUPAC Name: N-(2,4-dichlorophenyl)-4-methyl-3-nitrobenzamide
Canonical SMILES: CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C14H10Cl2N2O3/c1-8-2-3-9(6-13(8)18(20)21)14(19)17-12-5-4-10(15)7-11(12)16/h2-7H,1H3,(H,17,19)
InChIKey: VNKILQNNNYOVJY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 711291
TTD ID: D0YK5U

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.