Details of the Drug

General Information of Drug (ID: DMRZK9A)

Drug Name

2-nitro-N-(2,4,5-trichlorophenyl)benzamide

Synonyms

2-nitro-N-(2,4,5-trichlorophenyl)benzamide; CHEMBL570080; AC1LEFM1; CBMicro_048760; Oprea1_298416; MolPort-001-513-202; ZINC103157; STL255954; BDBM50297534; AKOS003265549; MCULE-2760222088; ST011169; BIM-0048873.P001

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)

345.6

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H7Cl3N2O3
IUPAC Name: 2-nitro-N-(2,4,5-trichlorophenyl)benzamide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C13H7Cl3N2O3/c14-8-5-10(16)11(6-9(8)15)17-13(19)7-3-1-2-4-12(7)18(20)21/h1-6H,(H,17,19)
InChIKey: IWLWJYOQIYGDKH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 711434
TTD ID: D07UTV

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.