Details of the Drug

General Information of Drug (ID: DMP3RCH)

• Drug Name: US8846654, 294
• Synonyms: BDBM135584; US8846654, 294
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 564.6
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C31H34F2N4O4
  IUPAC Name: 5-[[6-(1,3-difluoropropan-2-yloxy)-1-(1-formylpiperidin-4-yl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]-2-phenylbenzonitrile
  Canonical SMILES: C1CC2C(CC1OC(CF)CF)C(=O)N(C(=O)N2C3CCN(CC3)C=O)CC4=CC(=C(C=C4)C5=CC=CC=C5)C#N
  InChI: InChI=1S/C31H34F2N4O4/c32-16-26(17-33)41-25-7-9-29-28(15-25)30(39)36(31(40)37(29)24-10-12-35(20-38)13-11-24)19-21-6-8-27(23(14-21)18-34)22-4-2-1-3-5-22/h1-6,8,14,20,24-26,28-29H,7,9-13,15-17,19H2
  InChIKey: FDTVWOHILNTAPC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72333047
  TTD ID: D05SRL

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.