Details of the Drug

General Information of Drug (ID: DM0KPQ9)

• Drug Name: PMID28394193-Compound-51
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 520.4
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H31Cl2N3O4
  IUPAC Name: 7-[(1-acetylpiperidin-4-yl)-methoxymethyl]-5,8-dichloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
  Canonical SMILES: CC1=CC(=C(C(=O)N1)CN2CCC3=C(C=C(C(=C3C2=O)Cl)C(C4CCN(CC4)C(=O)C)OC)Cl)C
  InChI: InChI=1S/C26H31Cl2N3O4/c1-14-11-15(2)29-25(33)20(14)13-31-10-7-18-21(27)12-19(23(28)22(18)26(31)34)24(35-4)17-5-8-30(9-6-17)16(3)32/h11-12,17,24H,5-10,13H2,1-4H3,(H,29,33)
  InChIKey: PCBQYEOJXRGLFI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118580509
  TTD ID: D0FC9J

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.