Details of the Drug

General Information of Drug (ID: DM7UDIM)

• Drug Name: PMID28394193-Compound-47
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 462.3
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H21Cl2N3O4
  IUPAC Name: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methoxy-6-methyl-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)C4=C(ON=C4C)C)Cl)OC
  InChI: InChI=1S/C22H21Cl2N3O4/c1-10-7-17(30-4)15(21(28)25-10)9-27-6-5-13-16(23)8-14(20(24)19(13)22(27)29)18-11(2)26-31-12(18)3/h7-8H,5-6,9H2,1-4H3,(H,25,28)
  InChIKey: HCXPMZKLLCLZQX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118616529
  TTD ID: D0B4TX

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.