Details of the Drug

General Information of Drug (ID: DMZAOVG)

Drug Name

N-(4-(diethylamino)phenyl)-2-nitrobenzamide

Synonyms

N-[4-(diethylamino)phenyl]-2-nitrobenzamide; CHEMBL552222; N-(4-(diethylamino)phenyl)-2-nitrobenzamide; AC1LDVIK; CBMicro_033668; Oprea1_547325; Oprea1_003763; ARONIS021166; ZINC38831; KS-00004CPP; MolPort-001-026-902; BDBM50297531; STK073585; AKOS000487910; MCULE-3866338057; ST055105; BIM-0033840.P001; SR-01000220066; AN-329/12072549; SR-01000220066-1

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)

313.35

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H19N3O3
IUPAC Name: N-[4-(diethylamino)phenyl]-2-nitrobenzamide
Canonical SMILES: CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C17H19N3O3/c1-3-19(4-2)14-11-9-13(10-12-14)18-17(21)15-7-5-6-8-16(15)20(22)23/h5-12H,3-4H2,1-2H3,(H,18,21)
InChIKey: ILACFEJISPLWOY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 675939
TTD ID: D05DRQ

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.