EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233436 - Tolebrutinib

Default Structure
ChEBI IDCHEBI:233436
ChEBI NameTolebrutinib
Stars
DefinitionTolebrutinib (SAR442168) is a potent, selective, orally active and brain-penetrant inhibitor of Bruton tyrosine kinase (BTK), with IC50s of 0.4 and 0.7 nM in Ramos B cells and in HMC microglia cells, respectively. Tolebrutinib exhibits efficacy in central nervous system immunity. Tolebrutinib can be used for the research of multiple sclerosis (MS).
Submitterlbonaobra
DownloadsMolfile
FormulaC26H25N5O3
Net Charge0
Average Mass455.518
Monoisotopic Mass455.19574
SMILESC=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1
InChIInChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1
InChIKeyKOEUOFPEZFUWRF-LJQANCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
Tolebrutinib (CHEBI:233436) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
1971920-73-6SUBMITTER
PRN2246SUBMITTER
(R)-1-(1-acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-oneSUBMITTER
SAR442168SUBMITTER
Registry NumbersSources
CAS:1971920-73-6SUBMITTER