Details of the Drug

General Information of Drug (ID: DMLDQ6I)

Drug Name
2-chloro-N-(o-tolylcarbamoyl)benzamide
Synonyms CHEMBL1169825; 2-chloro-N-(o-tolylcarbamoyl)benzamide
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) 288.73
Topological Polar Surface Area (xlogp) 3.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H13ClN2O2
IUPAC Name
2-chloro-N-[(2-methylphenyl)carbamoyl]benzamide
Canonical SMILES
CC1=CC=CC=C1NC(=O)NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C15H13ClN2O2/c1-10-6-2-5-9-13(10)17-15(20)18-14(19)11-7-3-4-8-12(11)16/h2-9H,1H3,(H2,17,18,19,20)
InChIKey
BXURYJIVZUMNBL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15740307
TTD ID
D0D8MA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium CDK Pfmrk (Malaria Pfmrk) TTSFWA7 P90584_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases, Bioorg. Med. Chem. Lett. 20(13):3863-3867 (2010).
2 A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different class... J Med Chem. 2004 Oct 21;47(22):5418-26.
3 Selective inhibition of Pfmrk, a Plasmodium falciparum CDK, by antimalarial 1,3-diaryl-2-propenones. Bioorg Med Chem Lett. 2009 Apr 1;19(7):1982-5.
4 Novel molecular targets for antimalarial chemotherapy. Int J Antimicrob Agents. 2007 Jul;30(1):4-10.
5 Evaluation of broad spectrum protein kinase inhibitors to probe the architecture of the malarial cyclin dependent protein kinase Pfmrk. Bioorg Med Chem Lett. 2007 Sep 1;17(17):4961-6.