Details of the Drug

General Information of Drug (ID: DM73CA5)

• Drug Name: PMID28394193-Compound-37
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 500.6
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C27H34F2N4O3
  IUPAC Name: 1-[1-[1-(2,2-difluoroethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
  Canonical SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)C(C)C4CCN(CC4)CC(F)F)C)OC
  InChI: InChI=1S/C27H34F2N4O3/c1-16-13-23(36-4)21(26(34)31-16)14-30-27(35)25-18(3)33(22-8-6-5-7-20(22)25)17(2)19-9-11-32(12-10-19)15-24(28)29/h5-8,13,17,19,24H,9-12,14-15H2,1-4H3,(H,30,35)(H,31,34)
  InChIKey: RQOXQFWLPWTPPB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 78320107
  TTD ID: D0W2KL

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.