Details of the Drug

General Information of Drug (ID: DMOZ4FS)

• Drug Name: US8933095, 18
• Synonyms: CHEMBL2347111; SCHEMBL9912531; BDBM107734; US8933095, 18
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 182.18
  Logarithm of the Partition Coefficient (xlogp); -1.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C7H10N4O2
  IUPAC Name: (5S)-5-amino-7-hydroxy-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
  Canonical SMILES: CN1C2=C(C[C@@H](C(=O)N2O)N)C=N1
  InChI: InChI=1S/C7H10N4O2/c1-10-6-4(3-9-10)2-5(8)7(12)11(6)13/h3,5,13H,2,8H2,1H3/t5-/m0/s1
  InChIKey: OETBHDOEBPITJA-YFKPBYRVSA-N
• Cross-matching ID:
  PubChem CID: 67963001
  TTD ID: D0RR5C

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.