Details of the Drug | DrugMAP

General Information of Drug (ID: DMGO1CB)

Drug Name	Indazole derivative 6
Synonyms	PMID27828716-Compound-12
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			428.5
	Topological Polar Surface Area (xlogp)			3.6
	Rotatable Bond Count (rotbonds)			7
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			6
Chemical Identifiers	Formula C23H26F2N4O2 IUPAC Name 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide Canonical SMILES COCCN1CCC(CC1)CNC(=O)C2=NNC3=C2C=C(C=C3)C4=C(C(=CC=C4)F)F InChI InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28) InChIKey QCLXNOBXQUWUEW-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 71680628 TTD ID D0WX0K

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.