Details of the Drug

General Information of Drug (ID: DMXY4BE)

• Drug Name: PMID25991433-Compound-N2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 288.4
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H16N2O2S
  IUPAC Name: 2-[[2-(3,5-dimethylphenyl)acetyl]amino]thiophene-3-carboxamide
  Canonical SMILES: CC1=CC(=CC(=C1)CC(=O)NC2=C(C=CS2)C(=O)N)C
  InChI: InChI=1S/C15H16N2O2S/c1-9-5-10(2)7-11(6-9)8-13(18)17-15-12(14(16)19)3-4-20-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18)
  InChIKey: DXUHHRPREFMGHI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46926710
  TTD ID: D0X7OF

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.