Details of the Drug

General Information of Drug (ID: DMZJXPF)

• Drug Name: PMID28394193-Compound-45
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 337.4
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H19N3O3
  IUPAC Name: 2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methoxy-1-oxo-3,4-dihydroisoquinoline-8-carbonitrile
  Canonical SMILES: CC1=CC(=C(C(=O)N1)CN2CCC3=C(C2=O)C(=C(C=C3)OC)C#N)C
  InChI: InChI=1S/C19H19N3O3/c1-11-8-12(2)21-18(23)15(11)10-22-7-6-13-4-5-16(25-3)14(9-20)17(13)19(22)24/h4-5,8H,6-7,10H2,1-3H3,(H,21,23)
  InChIKey: SJAPTZBKLVFZLU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118607675
  TTD ID: D0M8AA

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]
EZH2 Y641N mutant (EZH2 Y641N)	TTJW2UQ	EZH2_HUMAN	Inhibitor	[1]

References

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