Details of the Drug | DrugMAP

General Information of Drug (ID: DMYJL2Z)

Drug Name	Spiroquinolone derivative 1
Synonyms	PMID27828716-Compound-8
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			453.5
	Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.
2	Challenges and new opportunities in the investigation of new drug therapies to treat frontotemporal dementia. Expert Opin Ther Targets. 2008 Nov;12(11):1367-76.
3	The GSK3 kinase inhibitor lithium produces unexpected hyperphosphorylation of -catenin, a GSK3 substrate, in human glioblastoma cells. Biol Open. 2018 Jan 26;7(1):bio030874.