Details of the Drug

General Information of Drug (ID: DMY9WHZ)

• Drug Name: PMID27841036-Compound-23
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 404.5
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H24N4O3
  IUPAC Name: 3-(4,6-dimethoxypyrimidin-2-yl)-2-methyl-2-(6-oxo-7,8,9,10-tetrahydro-5H-phenanthridin-3-yl)propanenitrile
  Canonical SMILES: CC(CC1=NC(=CC(=N1)OC)OC)(C#N)C2=CC3=C(C=C2)C4=C(CCCC4)C(=O)N3
  InChI: InChI=1S/C23H24N4O3/c1-23(13-24,12-19-26-20(29-2)11-21(27-19)30-3)14-8-9-16-15-6-4-5-7-17(15)22(28)25-18(16)10-14/h8-11H,4-7,12H2,1-3H3,(H,25,28)
  InChIKey: FITDTEZFVLDGBX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44514723
  TTD ID: D01PSK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase (PARP)	TTEBCY8	NOUNIPROTAC	Inhibitor	[1]

References

• [1] PARP inhibitors as antitumor agents: a patent update (2013-2015).Expert Opin Ther Pat. 2017 Mar;27(3):363-382.