Details of the Drug

General Information of Drug (ID: DMZUNJ4)

• Drug Name: US8933095, 14
• Synonyms: CHEMBL2347108; SCHEMBL9280114; BDBM107730; US8933095, 14
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 244.25
  Logarithm of the Partition Coefficient (xlogp); 0.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H12N4O2
  IUPAC Name: (5S)-5-amino-7-hydroxy-2-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
  Canonical SMILES: C1[C@@H](C(=O)N(C2=NN(C=C21)C3=CC=CC=C3)O)N
  InChI: InChI=1S/C12H12N4O2/c13-10-6-8-7-15(9-4-2-1-3-5-9)14-11(8)16(18)12(10)17/h1-5,7,10,18H,6,13H2/t10-/m0/s1
  InChIKey: AUAOKUNOKVGYJP-JTQLQIEISA-N
• Cross-matching ID:
  PubChem CID: 67813781
  TTD ID: D0SZ7H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kynurenine oxoglutarate transaminase II (AADAT)	TTT3IXG	AADAT_HUMAN	Inhibitor	[1]

References

• [1] KAT II inhibitors. US8598200.