Details of the Drug

General Information of Drug (ID: DMYEDJI)

• Drug Name: Tricyclic 5-quinolone derivative 1
• Synonyms: PMID27828716-Compound-9
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 447.5
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C22H27F2N5O3
  IUPAC Name: 8-[(1-acetylpiperidin-4-yl)amino]-6-amino-7,9-difluoro-1,1-dimethyl-5-oxo-2,3-dihydropyrrolo[1,2-a]quinoline-4-carboxamide
  Canonical SMILES: CC(=O)N1CCC(CC1)NC2=C(C(=C3C(=C2F)N4C(=C(C3=O)C(=O)N)CCC4(C)C)N)F
  InChI: InChI=1S/C22H27F2N5O3/c1-10(30)28-8-5-11(6-9-28)27-18-15(23)17(25)14-19(16(18)24)29-12(4-7-22(29,2)3)13(20(14)31)21(26)32/h11,27H,4-9,25H2,1-3H3,(H2,26,32)
  InChIKey: KPYGNCXHNQMYPD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72695231
  TTD ID: D0XR7S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 alpha (GSK-3A)	TTRZQE3	GSK3A_HUMAN	Inhibitor	[1]

References

• [1] Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.