Details of the Drug

General Information of Drug (ID: DM9VMJ3)

• Drug Name: PMID27841036-Compound-24
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 368.4
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C23H20N4O
  IUPAC Name: 6-[2-cyano-2-(6-oxo-7,8,9,10-tetrahydro-5H-phenanthridin-3-yl)propyl]pyridine-2-carbonitrile
  Canonical SMILES: CC(CC1=NC(=CC=C1)C#N)(C#N)C2=CC3=C(C=C2)C4=C(CCCC4)C(=O)N3
  InChI: InChI=1S/C23H20N4O/c1-23(14-25,12-16-5-4-6-17(13-24)26-16)15-9-10-19-18-7-2-3-8-20(18)22(28)27-21(19)11-15/h4-6,9-11H,2-3,7-8,12H2,1H3,(H,27,28)
  InChIKey: WVGLSASLDWFLFS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44515029
  TTD ID: D00JAH

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.