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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
BPR1R-024 | compound 12 [PMID: 34606263]
Database Links Click here for help
GtoPdb PubChem SID 458923782
PubChem CID 155195529
Search Google for chemical match using the InChIKey ORYMWWSJZRCUSV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ORYMWWSJZRCUSV
UniChem Compound Search for chemical match using the InChIKey ORYMWWSJZRCUSV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ORYMWWSJZRCUSV-UHFFFAOYSA-N