Details of the Drug

General Information of Drug (ID: DMGZUAY)

• Drug Name: Pyrazole derivative 87
• Synonyms: PMID28447479-Compound-9
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 451.5
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C22H22FN7O3
  IUPAC Name: N-(2-cyanoethyl)-2-[(7S)-2-[4-cyano-2-[(2-fluoroacetyl)amino]phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide
  Canonical SMILES: C[C@H]1CN(C(=O)C2=CC(=NN12)C3=C(C=C(C=C3)C#N)NC(=O)CF)CC(=O)N(C)CCC#N
  InChI: InChI=1S/C22H22FN7O3/c1-14-12-29(13-21(32)28(2)7-3-6-24)22(33)19-9-18(27-30(14)19)16-5-4-15(11-25)8-17(16)26-20(31)10-23/h4-5,8-9,14H,3,7,10,12-13H2,1-2H3,(H,26,31)/t14-/m0/s1
  InChIKey: TXOZRELGSIJTEA-AWEZNQCLSA-N
• Cross-matching ID:
  PubChem CID: 124165109
  TTD ID: D07JTJ

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.