Details of the Drug

General Information of Drug (ID: DM4NVTB)

• Drug Name: PMID28394193-Compound-50
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 430.9
  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: C23H27ClN2O4
  IUPAC Name: 8-chloro-2-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-7-[1-(oxetan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
  Canonical SMILES: CC1=CC(=C(C2=C1CCN(C2=O)CC3=C(C=C(NC3=O)C)OC)Cl)C(C)C4COC4
  InChI: InChI=1S/C23H27ClN2O4/c1-12-7-17(14(3)15-10-30-11-15)21(24)20-16(12)5-6-26(23(20)28)9-18-19(29-4)8-13(2)25-22(18)27/h7-8,14-15H,5-6,9-11H2,1-4H3,(H,25,27)
  InChIKey: ZUDMACKBEPQTPV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118580552
  TTD ID: D0A0VH

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.