JNJ-28312141   Click here for help

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.
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2D Structure
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
JNJ 28312141
Database Links Click here for help
CAS Registry No. 885692-52-4
ChEMBL Ligand CHEMBL1908842
GtoPdb PubChem SID 178102316
PubChem CID 11676971
Search Google for chemical match using the InChIKey GUBJNPWVIUFSTR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GUBJNPWVIUFSTR
UniChem Compound Search for chemical match using the InChIKey GUBJNPWVIUFSTR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GUBJNPWVIUFSTR-UHFFFAOYSA-N