Details of the Drug

General Information of Drug (ID: DM2I9HY)

• Drug Name: PMID28394193-Compound-52
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 552.4
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C26H31Cl2N3O6
  IUPAC Name: 5,8-dichloro-7-[[1-(2-hydroxyacetyl)piperidin-4-yl]-methoxymethyl]-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)C(C4CCN(CC4)C(=O)CO)OC)Cl)OC
  InChI: InChI=1S/C26H31Cl2N3O6/c1-14-10-20(36-2)18(25(34)29-14)12-31-9-6-16-19(27)11-17(23(28)22(16)26(31)35)24(37-3)15-4-7-30(8-5-15)21(33)13-32/h10-11,15,24,32H,4-9,12-13H2,1-3H3,(H,29,34)
  InChIKey: AARGZKBSIZRPJQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118580510
  ChEBI ID: CHEMBL4073864
  TTD ID: D0LR5O
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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.