PLX5622   Click here for help

GtoPdb Ligand ID: 9105

Synonyms: PLX 5622 | PLX-5622
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PLX5622 is an orally available and highly selective kinase inhibitor targeting CSF1R (FMS) kinase and other Type III receptor tyrosine kinases. It is being investigated for its anti-inflammatory effects in autoimmune diseases, in the first instance rheumatoid arthritis (RA).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 70.37
Molecular weight 395.41
XLogP 0.87
No. Lipinski's rules broken 0
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Canonical SMILES CC1=CC2=C(N=C1)NC=C2CC3=CC=C(NCC4=C(N=CC(=C4)F)OC)N=C3F
Isomeric SMILES CC1=CC2=C(NC=C2CC3=C(N=C(C=C3)NCC4=C(N=CC(=C4)F)OC)F)N=C1
InChI InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,25,26)
1. Dagher NN, Najafi AR, Kayala KM, Elmore MR, White TE, Medeiros R, West BL, Green KN. (2015)
Colony-stimulating factor 1 receptor inhibition prevents microglial plaque association and improves cognition in 3xTg-AD mice.
J Neuroinflammation, 12: 139. [PMID:26232154]
2. Zhang J, Ibrahim PN, Bremer R, Spevak W, Cho H. (2015)
Compounds and methods for kinase modulation, and indications therefor.
Patent number: US9096593B2. Assignee: Plexxikon Inc. Priority date: 20/09/2013. Publication date: 08/04/2015.