LY2090314   Click here for help

GtoPdb Ligand ID: 7958

Synonyms: LY-2090314
Compound class: Synthetic organic
Comment: LY2090314 is a potent inhibitor of glycogen synthase kinase-3 (GSK3) [2,4]. The discovery of LY2090314 is described by Engler et al. (2004) [2] where it is compound 12.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 91.95
Molecular weight 512.2
XLogP 4.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1
Isomeric SMILES Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1
InChI InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
InChI Key HRJWTAWVFDCTGO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
LY-2090314
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9687669
Reactome Reaction Reactome logo R-HSA-9687724
Other databases
ChEMBL Ligand CHEMBL362558
GtoPdb PubChem SID 249565641
PubChem CID 10029385
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