Details of the Drug | DrugMAP

General Information of Drug (ID: DMCIKR3)

Drug Name	Quinolinyl pyrazinyl urea derivative 1
Synonyms	PMID27828716-Compound-2
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			265.27
	Topological Polar Surface Area (xlogp)			0.9
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C14H11N5O IUPAC Name 1-pyrazin-2-yl-3-quinolin-4-ylurea Canonical SMILES C1=CC=C2C(=C1)C(=CC=N2)NC(=O)NC3=NC=CN=C3 InChI InChI=1S/C14H11N5O/c20-14(19-13-9-15-7-8-17-13)18-12-5-6-16-11-4-2-1-3-10(11)12/h1-9H,(H2,16,17,18,19,20) InChIKey LNIDFQVRZCDVBI-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 24772168 TTD ID D06ZRL

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.