Details of the Drug

General Information of Drug (ID: DMNWCUJ)

• Drug Name: PMID28394193-Compound-26
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 526.7
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C31H38N6O2
  IUPAC Name: 1-butan-2-yl-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-ylpyridin-3-yl)indole-4-carboxamide
  Canonical SMILES: CCC(C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(NC(=CC5=O)C)C)C
  InChI: InChI=1S/C31H38N6O2/c1-6-21(4)37-18-19(2)30-25(31(39)34-17-26-22(5)35-20(3)13-28(26)38)14-24(15-27(30)37)23-7-8-29(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,21,32H,6,9-12,17H2,1-5H3,(H,34,39)(H,35,38)
  InChIKey: GSJUSSJURDTFPS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 75203283
  TTD ID: D0Z0NC

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.