Details of the Drug

General Information of Drug (ID: DMWN17V)

• Drug Name: Imidazopyrimidinone derivative 1
• Synonyms: PMID28447479-Compound-5
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 486
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C24H28ClN5O4
  IUPAC Name: 2-[[(2S)-1-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]acetic acid
  Canonical SMILES: CCCCCN1C(=CC(=O)N2C1=NC(=C2)C3=CC=C(C=C3)Cl)N4CCC[C@H]4C(=O)NCC(=O)O
  InChI: InChI=1S/C24H28ClN5O4/c1-2-3-4-11-29-20(28-12-5-6-19(28)23(34)26-14-22(32)33)13-21(31)30-15-18(27-24(29)30)16-7-9-17(25)10-8-16/h7-10,13,15,19H,2-6,11-12,14H2,1H3,(H,26,34)(H,32,33)/t19-/m0/s1
  InChIKey: VHDLUVVGLIPRGY-IBGZPJMESA-N
• Cross-matching ID:
  PubChem CID: 118631422
  TTD ID: D09IKN

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	Inhibitor	[1]

References

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