Details of the Drug

General Information of Drug (ID: DMRUTJZ)

• Drug Name: US8846654, 11
• Synonyms: BDBM135577; US8846654, 11
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 523.6
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C26H35F2N3O6
  IUPAC Name: 4-[6-(1,3-difluoropropan-2-yloxy)-3-[(3,4-dimethoxyphenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]piperidine-1-carbaldehyde
  Canonical SMILES: COC1=C(C=C(C=C1)CN2C(=O)C3CC(CCC3N(C2=O)C4CCN(CC4)C=O)OC(CF)CF)OC
  InChI: InChI=1S/C26H35F2N3O6/c1-35-23-6-3-17(11-24(23)36-2)15-30-25(33)21-12-19(37-20(13-27)14-28)4-5-22(21)31(26(30)34)18-7-9-29(16-32)10-8-18/h3,6,11,16,18-22H,4-5,7-10,12-15H2,1-2H3
  InChIKey: QZWWBGKSFBRQGT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 74434786
  TTD ID: D0EF6R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 8 (PDE8)	TTIS4OW	PDE8A_HUMAN	Inhibitor	[1]

References

• [1] Therapeutic applications in the cardiovascular field of quinazolinedione derivatives. US8846654.