Details of the Drug

General Information of Drug (ID: DMEGS7U)

• Drug Name: PMID25991433-Compound-P2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 314.4
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C16H14N2O3S
  IUPAC Name: 2-(4-methoxyphenyl)-N-[2-(1,3-oxazol-2-yl)thiophen-3-yl]acetamide
  Canonical SMILES: COC1=CC=C(C=C1)CC(=O)NC2=C(SC=C2)C3=NC=CO3
  InChI: InChI=1S/C16H14N2O3S/c1-20-12-4-2-11(3-5-12)10-14(19)18-13-6-9-22-15(13)16-17-7-8-21-16/h2-9H,10H2,1H3,(H,18,19)
  InChIKey: KSZHRLGDJPCAID-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46869000
  TTD ID: D0UY9Y

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.