GW-2580   Click here for help

GtoPdb Ligand ID: 5685

Synonyms: cFMS receptor tyrosine kinase inhibitor | GW2580 | GW632580X
PDB Ligand
Compound class: Synthetic organic
Comment: GW-2580 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. GW-2580 has been assessed in preclinical investigations.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 105.51
Molecular weight 366.17
XLogP 2.49
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N
Isomeric SMILES COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N
InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
cFMS receptor tyrosine kinase inhibitor | GW2580 | GW632580X
Database Links Click here for help
CAS Registry No. 870483-87-7
ChEMBL Ligand CHEMBL261849
GtoPdb PubChem SID 178102312
PubChem CID 11617559
Search Google for chemical match using the InChIKey MYQAUKPBNJWPIE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MYQAUKPBNJWPIE
SynPHARM 83183 (in complex with neurotrophic receptor tyrosine kinase 2)
UniChem Compound Search for chemical match using the InChIKey MYQAUKPBNJWPIE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey MYQAUKPBNJWPIE-UHFFFAOYSA-N

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GW 2580 (links to external site)
Cat. No. 5673