Details of the Drug

General Information of Drug (ID: DMLI7TG)

• Drug Name: PMID28394193-Compound-42
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 405.3
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H21BrN2O3
  IUPAC Name: 7-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-5-carboxamide
  Canonical SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC3=C(C(=C2)Br)OC(C3)(C)C)C
  InChI: InChI=1S/C19H21BrN2O3/c1-10-5-11(2)22-18(24)14(10)9-21-17(23)12-6-13-8-19(3,4)25-16(13)15(20)7-12/h5-7H,8-9H2,1-4H3,(H,21,23)(H,22,24)
  InChIKey: HDXJPZKHNBTZOX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118096643
  TTD ID: D0H4HR

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.