Details of the Drug

General Information of Drug (ID: DM3U2S5)

• Drug Name: PF-04859989
• Synonyms: (3S)-3-amino-1-hydroxy-1,2,3,4-tetrahydroquinolin-2-one; (S)-3-Amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one; CHEMBL2047851; 34783-48-7 (free base); 34783-48-7; (3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one; GTPL9038; SCHEMBL2132616; ZINC6117343; BDBM50386292; AKOS006281463; compound 1 [PMID: 23466229]; NCGC00485082-01; Q27088318; (3s)-3-amino-1-hydroxy-3,4-dihydroquinolin-2(1h)-one; Z1601186413

Indication

Disease Entry	ICD 11	Status	REF
Cognitive impairment	6D71	Preclinical	[1]
Schizophrenia	6A20	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 178.19
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H10N2O2
  IUPAC Name: (3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one
  Canonical SMILES: C1[C@@H](C(=O)N(C2=CC=CC=C21)O)N
  InChI: InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1
  InChIKey: HYTRYTZFJVVZAF-ZETCQYMHSA-N
• Cross-matching ID:
  PubChem CID: 22868923
  TTD ID: D9PBQ8
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

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	[2]

References

• [1] Tryptophan metabolism as a common therapeutic target in cancer, neurodegeneration and beyond. Nat Rev Drug Discov. 2019 May;18(5):379-401.
• [2] Investigating KYNA production and kynurenergic manipulation on acute mouse brain slice preparations. Brain Res Bull. 2019 Mar;146:185-191.