Details of the Drug

General Information of Drug (ID: DMRN5F4)

• Drug Name: US8933095, 16
• Synonyms: CHEMBL2347109; SCHEMBL15493583; BDBM50432200; US8933095, 16
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 244.25
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H12N4O2
  IUPAC Name: (6S)-6-amino-4-hydroxy-2-phenyl-6,7-dihydropyrazolo[4,3-b]pyridin-5-one
  Canonical SMILES: C1[C@@H](C(=O)N(C2=CN(N=C21)C3=CC=CC=C3)O)N
  InChI: InChI=1S/C12H12N4O2/c13-9-6-10-11(16(18)12(9)17)7-15(14-10)8-4-2-1-3-5-8/h1-5,7,9,18H,6,13H2/t9-/m0/s1
  InChIKey: LHLQHHDRLPOVCF-VIFPVBQESA-N
• Cross-matching ID:
  PubChem CID: 71717745
  TTD ID: D09JPJ

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.