Details of the Drug

General Information of Drug (ID: DMASV8I)

• Drug Name: PMID28394193-Compound-43
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 486.6
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C29H34N4O3
  IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethyl-7-(4-piperazin-1-ylphenyl)-3H-1-benzofuran-5-carboxamide
  Canonical SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC3=C(C(=C2)C4=CC=C(C=C4)N5CCNCC5)OC(C3)(C)C)C
  InChI: InChI=1S/C29H34N4O3/c1-18-13-19(2)32-28(35)25(18)17-31-27(34)21-14-22-16-29(3,4)36-26(22)24(15-21)20-5-7-23(8-6-20)33-11-9-30-10-12-33/h5-8,13-15,30H,9-12,16-17H2,1-4H3,(H,31,34)(H,32,35)
  InChIKey: ZIIBOHIVIFEGAI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118096796
  ChEBI ID: CHEMBL5189557
  TTD ID: D0PI5O

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Enhancer of zeste homolog 2 (EZH2)	TT9MZCQ	EZH2_HUMAN	Inhibitor	[1]

References

• [1] EZH2 inhibitors: a patent review (2014-2016).Expert Opin Ther Pat. 2017 Jul;27(7):797-813.