Details of the Drug

General Information of Drug (ID: DM9B1ID)

Drug Name

N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide

Synonyms

N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide; 331846-06-1; benzamide compound 3; AC1LGPDD; Asinex compound no. 6; Oprea1_295970; Oprea1_049304; CHEMBL217893; SCHEMBL18120561; CTK1B1898; BDBM14711; DTXSID50355395; MolPort-001-496-487; ZINC304714; STK020274; AKOS003270080; MCULE-1240652686; ST50693254; Benzamide, N-(3,5-dichlorophenyl)-2-methyl-3-nitro-; N-(3,5-dichlorophenyl)(2-methyl-3-nitrophenyl)carboxamide

Indication

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

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

Cross-matching ID

PubChem CID: 799096
CAS Number: 331846-06-1
TTD ID: D0C1NU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design and synthesis of potent inhibitors of the malaria parasite dihydroorotate dehydrogenase. J Med Chem. 2007 Jan 25;50(2):186-91.