Details of the Drug

General Information of Drug (ID: DMAIKJV)

• Drug Name: PMID25991433-Compound-Q2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 408.4
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C22H20N2O6
  IUPAC Name: 2-nitro-4-phenyl-N-(3,4,5-trimethoxyphenyl)benzamide
  Canonical SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]
  InChI: InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)23-22(25)17-10-9-15(11-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
  InChIKey: RCEYITFFDFXLHB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56946615
  TTD ID: D0O2EF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mitogen-activated protein kinase (MAPK)	TTVOE6D	NOUNIPROTAC	Inhibitor	[1]

References

• [1] c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.