Details of the Drug

General Information of Drug (ID: DMNHCMY)

• Drug Name: PMID28394193-Compound-23
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 421.5
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C25H31N3O3
  IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
  Canonical SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)C(C)C4CCOCC4)C)C
  InChI: InChI=1S/C25H31N3O3/c1-15-13-16(2)27-24(29)21(15)14-26-25(30)23-18(4)28(22-8-6-5-7-20(22)23)17(3)19-9-11-31-12-10-19/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)
  InChIKey: HFMSKVHOEPULNV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 117807623
  TTD ID: D0M9BY

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.