Details of the Drug

General Information of Drug (ID: DMUVSM1)

Drug Name

N-(2,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide

Synonyms

N-(2,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide; CHEMBL558073; AC1LEFVJ; Cambridge id 5309469; Oprea1_724345; MolPort-002-143-797; ZINC103357; BDBM50297553; AKOS008477850; MCULE-4612892000; ST011243; AB00079960-01; AE-848/32724040; SR-01000203933; SR-01000203933-1; N-(2,5-dichlorophenyl)-3-nitro-4-methoxybenzamide

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)

341.1

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H10Cl2N2O4
IUPAC Name: N-(2,5-dichlorophenyl)-4-methoxy-3-nitrobenzamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-]
InChI: InChI=1S/C14H10Cl2N2O4/c1-22-13-5-2-8(6-12(13)18(20)21)14(19)17-11-7-9(15)3-4-10(11)16/h2-7H,1H3,(H,17,19)
InChIKey: NGRNRPWPJLMWBI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 711551
TTD ID: D05SWR

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.