Details of the Drug

General Information of Drug (ID: DMKJN9G)

Drug Name
Quinolinyl pyrazinyl urea derivative 2
Synonyms PMID27828716-Compound-3
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 333.27
Topological Polar Surface Area (xlogp) 1.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C15H10F3N5O
IUPAC Name
1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea
Canonical SMILES
C1=CC2=NC=CC(=C2C=C1C(F)(F)F)NC(=O)NC3=NC=CN=C3
InChI
InChI=1S/C15H10F3N5O/c16-15(17,18)9-1-2-11-10(7-9)12(3-4-20-11)22-14(24)23-13-8-19-5-6-21-13/h1-8H,(H2,20,21,22,23,24)
InChIKey
GHAZVJQMLWOQLP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24858859
TTD ID
D0RD9V

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.