Details of the Drug

General Information of Drug (ID: DMC24OL)

• Drug Name: PMID28394193-Compound-28
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 550.7
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C33H38N6O2
  IUPAC Name: (13E)-8-methyl-21-(6-piperazin-1-ylpyridin-3-yl)-18-propan-2-yl-3,7,18-triazatetracyclo[14.6.1.05,10.019,23]tricosa-1(23),5(10),8,13,16,19,21-heptaene-2,6-dione
  Canonical SMILES: CC1=CC2=C(CNC(=O)C3=C4C(=CN(C4=CC(=C3)C5=CN=C(C=C5)N6CCNCC6)C(C)C)C/C=C/CC2)C(=O)N1
  InChI: InChI=1S/C33H38N6O2/c1-21(2)39-20-25-8-6-4-5-7-23-15-22(3)37-33(41)28(23)19-36-32(40)27-16-26(17-29(39)31(25)27)24-9-10-30(35-18-24)38-13-11-34-12-14-38/h4,6,9-10,15-18,20-21,34H,5,7-8,11-14,19H2,1-3H3,(H,36,40)(H,37,41)/b6-4+
  InChIKey: GMAFAVDEQFGQCC-GQCTYLIASA-N
• Cross-matching ID:
  PubChem CID: 91884579
  ChEBI ID: CHEMBL5177538
  TTD ID: D0S4OP

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.