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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
Roles Classification
Biological Role:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
Applications:
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
ChEBI Ontology
Outgoing Relation(s)
Tolebrutinib (CHEBI:233436) has role immunosuppressive agent (CHEBI:35705)
Tolebrutinib (CHEBI:233436) has role renoprotective agent (CHEBI:231911)
Tolebrutinib (CHEBI:233436) is a organic molecular entity (CHEBI:50860)
INN  Source
tolebrutinibWHO MedNet
Synonyms  Source
1971920-73-6SUBMITTER
PRN-2246ChEMBL
PRN2246SUBMITTER
(R)-1-(1-acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-oneSUBMITTER
SAR-442168ChEMBL
SAR442168SUBMITTER
Registry NumbersSources
CAS:1971920-73-6SUBMITTER
Citations