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
SMILES / InChI / InChIKey
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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)
InChI Key GUBJNPWVIUFSTR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-cyano-N-[2-(cyclohex-1-en-1-yl)-4-{1-[2-(dimethylamino)acetyl]piperidin-4-yl}phenyl]-1H-imidazole-2-carboxamide
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
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