Details of the Drug

General Information of Drug (ID: DM1XUVB)

• Drug Name: Piperazine derivative 8
• Synonyms: PMID28447479-Compound-25
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 456.7
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C28H44N2O3
  IUPAC Name: 4-[[4-(4-octoxyphenyl)piperazin-1-yl]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
  Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)CC34CCC(CC3)(CC4)C(=O)O
  InChI: InChI=1S/C28H44N2O3/c1-2-3-4-5-6-7-22-33-25-10-8-24(9-11-25)30-20-18-29(19-21-30)23-27-12-15-28(16-13-27,17-14-27)26(31)32/h8-11H,2-7,12-23H2,1H3,(H,31,32)
  InChIKey: BBLBOXJIVAKNRT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 74767919
  TTD ID: D0WD8Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Extracellular lysophospholipase D (E-NPP2)	TTSCIM2	ENPP2_HUMAN	Not Available	[1]

References

• [1] Autotaxin inhibitors: a patent review (2012-2016).Expert Opin Ther Pat. 2017 Jul;27(7):815-829.