GSK2646264   Click here for help

GtoPdb Ligand ID: 10108

Synonyms: compound 44 [PMID: 30249354]
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GSK2646264 is a skin permeable Syk inhibitor that is being investigated as a topical treatment for skin inflammation [1]. An X-ray crystal structure of GSK2646264 bound to human SYK reveals that it binds the enzyme's aspartate 512 residue which lies within the ribose pocket in the ATP binding site of Syk.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 43.38
Molecular weight 376.22
XLogP 4.35
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C
Isomeric SMILES COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C
InChI InChI=1S/C24H28N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,18-19,25H,9-12,16H2,1-2H3
Immunopharmacology Comments
GSK2646264 is a relatively selective Syk inhibitor that was designed as a topical agent for inflammatory skin disease [1].