Details of the Drug

General Information of Drug (ID: DM9ORUL)

• Drug Name: OPC-8490
• Synonyms: Opc 8490; Opc-8490; 123941-50-4; 6-[4-(4-oxo-4-phenyl-butyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one; ACMC-20mqub; AC1MI0AB; SCHEMBL8212456; CTK0I0428; DTXSID40154152; 3,4-Dihydro-6-(4-(4-oxo-4-phenylbutyl)-1-piperazinylcarbonyl)-2(1H)-quinolinone; Piperazine, 1-(4-oxo-4-phenylbutyl)-4-((1,2,3,4-tetrahydro-2-oxo-6-quinolinyl)carbonyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Indication

Disease Entry	ICD 11	Status	REF
Cardiovascular disease	BA00-BE2Z	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 597.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 11
  Hydrogen Bond Donor Count; 5
  Hydrogen Bond Acceptor Count; 11
• Chemical Identifiers:
  Formula: C30H35N3O10
  IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;6-[4-(4-oxo-4-phenylbutyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
  Canonical SMILES: C1CC(=O)NC2=C1C=C(C=C2)C(=O)N3CCN(CC3)CCCC(=O)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
  InChI: InChI=1S/C24H27N3O3.C6H8O7/c28-22(18-5-2-1-3-6-18)7-4-12-26-13-15-27(16-14-26)24(30)20-8-10-21-19(17-20)9-11-23(29)25-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3,5-6,8,10,17H,4,7,9,11-16H2,(H,25,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
  InChIKey: ONELTIQETCJUSG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3035953
  CAS Number: 123941-50-4
  TTD ID: D06PQR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 3 (PDE3)	TTZCG4L	NOUNIPROTAC	Modulator	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000283)
• [2] Mechanism of action of OPC-8490 in human ventricular myocardium. Circulation. 1996 Feb 15;93(4):817-25.