Details of the Drug

General Information of Drug (ID: DMEOHX2)

• Drug Name: PMID28394193-Compound-33
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 517.7
  Logarithm of the Partition Coefficient (xlogp); 5.8
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C31H39N3O2S
  IUPAC Name: 5-[(4,6-dimethyl-2-phenylmethoxypyridin-3-yl)methyl]-3-methyl-2-(1-piperidin-4-ylpropyl)-6,7-dihydrothieno[3,2-c]pyridin-4-one
  Canonical SMILES: CCC(C1CCNCC1)C2=C(C3=C(S2)CCN(C3=O)CC4=C(N=C(C=C4C)C)OCC5=CC=CC=C5)C
  InChI: InChI=1S/C31H39N3O2S/c1-5-25(24-11-14-32-15-12-24)29-22(4)28-27(37-29)13-16-34(31(28)35)18-26-20(2)17-21(3)33-30(26)36-19-23-9-7-6-8-10-23/h6-10,17,24-25,32H,5,11-16,18-19H2,1-4H3
  InChIKey: SJBPGCIWHCAKKL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 121305270
  TTD ID: D03MYI

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.