Details of the Drug

General Information of Drug (ID: DMNKXJ2)

• Drug Name: PMID28870136-Compound-62
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 344.4
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H16N4O2
  IUPAC Name: 2-(2-oxopropyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
  Canonical SMILES: CC(=O)CN1C(=O)C=CC(=N1)C2=C3C=CC=CN3N=C2C4=CC=CC=C4
  InChI: InChI=1S/C20H16N4O2/c1-14(25)13-24-18(26)11-10-16(21-24)19-17-9-5-6-12-23(17)22-20(19)15-7-3-2-4-8-15/h2-12H,13H2,1H3
  InChIKey: QATXIDMQXCGKIY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11110698
  TTD ID: D0Y2QO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ecto-5'-nucleotidase (CD73)	TTK0O6Y	5NTD_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Ecto-5'-nucleotidase (CD73)	DTT	NT5E	9.56E-01	0.33	0.37

References

• [1] Ectonucleotidase inhibitors: a patent review (2011-2016).Expert Opin Ther Pat. 2017 Dec;27(12):1291-1304.