BPR1R024   Click here for help

GtoPdb Ligand ID: 11747

Synonyms: BPR1R-024 | compound 12 [PMID: 34606263]
Compound class: Synthetic organic
Comment: BPR1R024 is an orally active inhibitor of colony stimulating factor 1 receptor (CSF1R) tyrosine kinase activity [1]. It was developed for immunomodulatory antitumour potential.
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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 9
Topological polar surface area 92.27
Molecular weight 482.17
XLogP 3.87
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1ccc(cc1)Oc1ncnc2c1ccc(c2)N(C)C)NCc1ccc(nc1)C(F)(F)F
Isomeric SMILES CN(c1ccc2c(ncnc2c1)Oc1ccc(cc1)NC(=O)NCc1cnc(cc1)C(F)(F)F)C
InChI InChI=1S/C24H21F3N6O2/c1-33(2)17-6-9-19-20(11-17)30-14-31-22(19)35-18-7-4-16(5-8-18)32-23(34)29-13-15-3-10-21(28-12-15)24(25,26)27/h3-12,14H,13H2,1-2H3,(H2,29,32,34)
1. Lee KH, Yen WC, Lin WH, Wang PC, Lai YL, Su YC, Chang CY, Wu CS, Huang YC, Yang CM et al.. (2021)
Discovery of BPR1R024, an Orally Active and Selective CSF1R Inhibitor that Exhibits Antitumor and Immunomodulatory Activity in a Murine Colon Tumor Model.
J Med Chem, 64 (19): 14477-14497. [PMID:34606263]