Details of the Drug

General Information of Drug (ID: DM2GR5Q)

• Drug Name: Pyridinone compound 1
• Synonyms: PMID28594589-Compound-TABLE3c9
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 515.299
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C20H23FIN3O4
  IUPAC Name: 3-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-2-methylpropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
  Canonical SMILES: CC(C)(CONC(=O)C1=C(N(C(=O)C2=C1CCC2)C)NC3=C(C=C(C=C3)I)F)O
  InChI: InChI=1S/C20H23FIN3O4/c1-20(2,28)10-29-24-18(26)16-12-5-4-6-13(12)19(27)25(3)17(16)23-15-8-7-11(22)9-14(15)21/h7-9,23,28H,4-6,10H2,1-3H3,(H,24,26)
  InChIKey: WMBPVWDVQRPCQY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86582134
  TTD ID: D01GWS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ERK activator kinase (MEK)	TTZCRP3	NOUNIPROTAC	Inhibitor	[1]

References

• [1] MEK inhibitors in oncology: a patent review (2015-Present).Expert Opin Ther Pat. 2017 Aug;27(8):887-906.