BLZ945   Click here for help

GtoPdb Ligand ID: 8250

Synonyms: BLZ 945 | BLZ-945
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: BLZ945 is reported as an orally active, potent and selective inhibitor of colony stimulating factor 1 receptor (CSF1R) [4]. It is also brain-penetrant. The compound was designed to deplete pro-tumorigenic tumour-associated macrophages (TAMs) in the tumour microenvironment [4], and has also been reported to inhibit osteoclast CSF1R activity which reduces skeletal related events in metastatic disease [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 124.61
Molecular weight 398.14
XLogP 2.32
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)NC1CCCCC1O
Isomeric SMILES CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)N[C@@H]1CCCC[C@H]1O
InChI InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1
InChI Key ADZBMFGQQWPHMJ-RHSMWYFYSA-N