Ki-20227   Click here for help

GtoPdb Ligand ID: 5690

Synonyms: Ki 20227 | Ki20227
Compound class: Synthetic organic
Comment: Ki-20227 is an inhibitor of the receptor tyrosine kinase, colony stimulating factor 1 receptor (CSF1R or FMS) [2]. CSF1R inhibitors are considered to have therapeutic potential for the prevention of osteolytic disease associated with bone metastasis and other bone diseases.
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 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 132.07
Molecular weight 480.15
XLogP 2.42
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC
Isomeric SMILES COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC
InChI InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)
Bioactivity Comments
KI-20227 inhibits osteoclast differentiation and osteolytic bone destruction in vitro and in vivo [2].
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
colony stimulating factor 1 receptor Primary target of this compound Hs Inhibitor Inhibition 9.1 pKd - 1
pKd 9.1 (Kd 8.3x10-10 M) [1]
colony stimulating factor 1 receptor Primary target of this compound Hs Inhibitor Inhibition 8.7 pIC50 - 2
pIC50 8.7 (IC50 2x10-9 M) [2]
kinase insert domain receptor Hs Inhibitor Inhibition 7.9 pIC50 - 2
pIC50 7.9 (IC50 1.2x10-8 M) [2]
platelet derived growth factor receptor beta Hs Inhibitor Inhibition 6.7 pIC50 - 2
pIC50 6.7 (IC50 2.17x10-7 M) [2]
KIT proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 4.51x10-7 M) [2]