Details of the Drug

General Information of Drug (ID: DMYJL2Z)

• Drug Name: Spiroquinolone derivative 1
• Synonyms: PMID27828716-Compound-8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 453.5
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C23H24FN5O4
  IUPAC Name: 6-amino-7-fluoro-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxylic acid
  Canonical SMILES: C1CC2(C1)CCOC3=C4N2C=C(C(=O)C4=C(C(=C3NCCNC5=CC=CC=N5)F)N)C(=O)O
  InChI: InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)33-11-7-23(5-3-6-23)29(19)12-13(20(15)30)22(31)32/h1-2,4,8,12,28H,3,5-7,9-11,25H2,(H,26,27)(H,31,32)
  InChIKey: FBGUGRUHZTVCSL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25253820
  TTD ID: D09PGW

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.