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CHEBI:229212 - pirtobrutinib

ChEBI IDCHEBI:229212
ChEBI Namepirtobrutinib
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 5-fluoro-2-methoxybenzoic acid with the amino group of 5-amino-3-[4-(aminomethyl)phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide. It is a BTK inhibitor used for the treatment of adult patients with chronic lymphocytic leukemia or small lymphocytic lymphoma.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC22H21F4N5O3
Net Charge0
Average Mass479.434
Monoisotopic Mass479.15805
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1
InChIKeyFWZAWAUZXYCBKZ-NSHDSACASA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pirtobrutinib (CHEBI:229212) has role antineoplastic agent (CHEBI:35610)
pirtobrutinib (CHEBI:229212) has role apoptosis inducer (CHEBI:68495)
pirtobrutinib (CHEBI:229212) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
pirtobrutinib (CHEBI:229212) is a benzamides (CHEBI:22702)
pirtobrutinib (CHEBI:229212) is a monofluorobenzenes (CHEBI:83575)
pirtobrutinib (CHEBI:229212) is a monomethoxybenzene (CHEBI:25235)
pirtobrutinib (CHEBI:229212) is a organofluorine compound (CHEBI:37143)
pirtobrutinib (CHEBI:229212) is a primary amino compound (CHEBI:50994)
pirtobrutinib (CHEBI:229212) is a primary carboxamide (CHEBI:140324)
pirtobrutinib (CHEBI:229212) is a pyrazoles (CHEBI:26410)
pirtobrutinib (CHEBI:229212) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
5-amino-3-{4-[(5-fluoro-2-methoxybenzamido)methyl]phenyl}-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-pyrazole-4-carboxamide
INNs  Source
pirtobrutinibWHO MedNet
pirtobrutinibumWHO MedNet
pirtobrutinibWHO MedNet
pirtobrutinibWHO MedNet
Synonyms  Source
LOXO-305DrugBank
LY3527727DrugBank
LY-3527727DrugBank
RXC-005DrugBank
RXC005ChEBI
LY 3527727ChEBI
Brand Name  Source
JaypircaDrugBank
Manual XrefsDatabases
DB17472DrugBank
D12050KEGG DRUG
PirtobrutinibWikipedia
Y7WPDBeChem
114875989ChemSpider
Registry NumbersSources
CAS:2101700-15-4KEGG DRUG
Citations