Details of the Drug | DrugMAP

General Information of Drug (ID: DMDA3PN)

Drug Name	PMID27828716-Compound-20
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			364.4
	Topological Polar Surface Area (xlogp)			2.2
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C20H17FN4O2 IUPAC Name 1-[6-(3,6-dihydro-2H-pyran-4-yl)pyridin-2-yl]-3-(8-fluoroquinolin-4-yl)urea Canonical SMILES C1COCC=C1C2=NC(=CC=C2)NC(=O)NC3=C4C=CC=C(C4=NC=C3)F InChI InChI=1S/C20H17FN4O2/c21-15-4-1-3-14-17(7-10-22-19(14)15)24-20(26)25-18-6-2-5-16(23-18)13-8-11-27-12-9-13/h1-8,10H,9,11-12H2,(H2,22,23,24,25,26) InChIKey BYKSEVADXIBXTH-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 57521263 CAS Number 1384424-60-5 TTD ID D0NO7V

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]

------------------------------------------------------------------------------------

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.