JNJ-28312141   

GtoPdb Ligand ID: 5689

Synonyms: JNJ 28312141
Compound class: Synthetic organic
Comment: JNJ-28312141 is an inhibitor of the receptor tyrosine kinase, colony stimulating factor 1 receptor (CSF1R or FMS) and inhibits only five other tested kinases with an IC50 of <100nM [2]. CSF1R inhibitors are considered to have therapeutic potential for the prevention of osteolytic disease associated with bone metastasis and other bone diseases.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 105.12
Molecular weight 460.26
XLogP 2.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1c[nH]c(n1)C(=O)Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)CN(C)C
Isomeric SMILES N#Cc1c[nH]c(n1)C(=O)Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)CN(C)C
InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)
InChI Key GUBJNPWVIUFSTR-UHFFFAOYSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
LCK proto-oncogene, Src family tyrosine kinase Hs Inhibitor Inhibition 7.1 pIC50 - 2
pIC50 7.1 (IC50 8.8x10-8 M) [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 Hs Inhibitor Inhibition 8.5 pKd - 1
pKd 8.5 (Kd 3.2x10-9 M) [1]
colony stimulating factor 1 receptor Hs Inhibitor Inhibition 9.2 pIC50 - 2
pIC50 9.2 (IC50 6.9x10-10 M) [2]
KIT proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 8.3 pIC50 - 2
pIC50 8.3 (IC50 5x10-9 M) [2]
neurotrophic receptor tyrosine kinase 1 Hs Inhibitor Inhibition 7.8 pIC50 - 2
pIC50 7.8 (IC50 1.5x10-8 M) [2]
fms related receptor tyrosine kinase 3 Hs Inhibitor Inhibition 7.5 pIC50 - 2
pIC50 7.5 (IC50 3x10-8 M) [2]