Details of the Drug

General Information of Drug (ID: DMFZAS9)

• Drug Name: N-(2,4-dimethylphenyl)-2-nitrobenzamide
• Synonyms: N-(2,4-Dimethylphenyl)-2-nitrobenzamide; CHEMBL560086; AC1LB6XS; CBMicro_019379; Oprea1_664172; Oprea1_360147; WGMMCHJMOXWGPL-UHFFFAOYSA-N; MolPort-001-026-827; ZINC101882; CCG-7135; 2',4'-Dimethyl-2-nitrobenzanilide; BDBM50297545; STK017239; AKOS001297224; MCULE-5832294393; ST010752; BIM-0019204.P001; KB-100850; N-(2,4-Dimethylphenyl)-2-nitrobenzamide #; EU-0017382; N~1~-(2,4-dimethylphenyl)-2-nitrobenzamide; AB00082465-01; SR-01000509562; N-(2,4-dimethylphenyl)(2-nitrophenyl)carboxamide; AE-848/33212050; SR-01000509562-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 270.28
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H14N2O3
  IUPAC Name: N-(2,4-dimethylphenyl)-2-nitrobenzamide
  Canonical SMILES: CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C
  InChI: InChI=1S/C15H14N2O3/c1-10-7-8-13(11(2)9-10)16-15(18)12-5-3-4-6-14(12)17(19)20/h3-9H,1-2H3,(H,16,18)
  InChIKey: WGMMCHJMOXWGPL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 577479
  CAS Number: 102630-95-5
  TTD ID: D04BHQ

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]

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.