Details of the Drug

General Information of Drug (ID: DMG3T7E)

• Drug Name: US8933095, 1
• Synonyms: CHEMBL2347107; SCHEMBL9912514; BDBM107746; US8933095, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 258.279
  Logarithm of the Partition Coefficient (xlogp); 0.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C13H14N4O2
  IUPAC Name: (5S)-5-amino-2-benzyl-7-hydroxy-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
  Canonical SMILES: C1[C@@H](C(=O)N(C2=NN(C=C21)CC3=CC=CC=C3)O)N
  InChI: InChI=1S/C13H14N4O2/c14-11-6-10-8-16(7-9-4-2-1-3-5-9)15-12(10)17(19)13(11)18/h1-5,8,11,19H,6-7,14H2/t11-/m0/s1
  InChIKey: YEHNWRNMGIYLAL-NSHDSACASA-N
• Cross-matching ID:
  PubChem CID: 67962992
  TTD ID: D07JBL

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. US8933095.