Details of the Drug

General Information of Drug (ID: DMODTSC)

• Drug Name: Phthalazine derivative 2
• Synonyms: PMID27841036-Compound-15
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 397.4
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C22H24FN3O3
  IUPAC Name: 4-[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-2H-phthalazin-1-one
  Canonical SMILES: C1CN(CCC1C2=NNC(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)F)O
  InChI: InChI=1S/C22H24FN3O3/c23-16-5-7-18(8-6-16)29-14-17(27)13-26-11-9-15(10-12-26)21-19-3-1-2-4-20(19)22(28)25-24-21/h1-8,15,17,27H,9-14H2,(H,25,28)
  InChIKey: KVBJGGXSNXZAOH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11610964
  TTD ID: D0AE5G

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.