Details of the Drug

General Information of Drug (ID: DM61F5W)

• Drug Name: BUFROLIN
• Synonyms: Bufrolin; 54867-56-0; UNII-46C1PX266N; ICI-74917; CHEMBL150764; 46C1PX266N; Bufrolinum; Bufroline; Bufrolino; Bufrolin [INN:BAN]; Bufrolinum [INN-Latin]; Bufroline [INN-French]; Bufrolino [INN-Spanish]; AC1Q5RDE; AC1L2HFD; SCHEMBL2109492; CTK1H2392; DTXSID60203353; ZINC4215124; 6-butyl-4,10-dihydroxy-1,7-phenanthroline-2,8-dicarboxylic acid; BDBM50020876; 6-Butyl-1,4,7,10-tetrahydro-4,10-dioxo-1,7-phenanthroline-2,8-dicarbonsaeure; 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 356.3
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C18H16N2O6
  IUPAC Name: 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
  Canonical SMILES: CCCCC1=CC2=C(C3=C1NC(=CC3=O)C(=O)O)NC(=CC2=O)C(=O)O
  InChI: InChI=1S/C18H16N2O6/c1-2-3-4-8-5-9-12(21)6-10(17(23)24)20-16(9)14-13(22)7-11(18(25)26)19-15(8)14/h5-7H,2-4H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)
  InChIKey: BQVIONBNDNFCCP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72103
  CAS Number: 54867-56-0
  TTD ID: D0RC4F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 1 (PDE1)	TTHQENC	NOUNIPROTAC	Inhibitor	[1]

References

• [1] A new generation of phosphodiesterase inhibitors: multiple molecular forms of phosphodiesterase and the potential for drug selectivity. J Med Chem. 1985 May;28(5):537-45.