Details of the Drug

General Information of Drug (ID: DMZPHN5)

• Drug Name: Phthalazine derivative 1
• Synonyms: PMID27841036-Compound-14
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 258.32
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H18N4O
  IUPAC Name: 4-[4-(aminomethyl)piperidin-1-yl]-2H-phthalazin-1-one
  Canonical SMILES: C1CN(CCC1CN)C2=NNC(=O)C3=CC=CC=C32
  InChI: InChI=1S/C14H18N4O/c15-9-10-5-7-18(8-6-10)13-11-3-1-2-4-12(11)14(19)17-16-13/h1-4,10H,5-9,15H2,(H,17,19)
  InChIKey: CLUMMMKUUCOEBB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11514425
  TTD ID: D0A9HR

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.