Details of the Drug

General Information of Drug (ID: DM8WH97)

• Drug Name: Quinazolinone derivative 4
• Synonyms: PMID26924192-Compound-87
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 424.5
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H28N4O4
  IUPAC Name: 5,7-dimethoxy-2-[4-methoxy-2-[(1-methylpyrrolidin-3-yl)methylamino]phenyl]-3H-quinazolin-4-one
  Canonical SMILES: CN1CCC(C1)CNC2=C(C=CC(=C2)OC)C3=NC4=C(C(=CC(=C4)OC)OC)C(=O)N3
  InChI: InChI=1S/C23H28N4O4/c1-27-8-7-14(13-27)12-24-18-9-15(29-2)5-6-17(18)22-25-19-10-16(30-3)11-20(31-4)21(19)23(28)26-22/h5-6,9-11,14,24H,7-8,12-13H2,1-4H3,(H,25,26,28)
  InChIKey: PRDGUEJBCFBYCA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 137051771
  TTD ID: D0FY9K

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bromodomain and extraterminal domain protein (BET)	TTE4BSY	NOUNIPROTAC	Inhibitor	[1]

References

• [1] BET inhibitors in cancer therapeutics: a patent review.Expert Opin Ther Pat. 2016;26(4):505-22.