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CHEBI:232810 - brigatinib

ChEBI IDCHEBI:232810
ChEBI Namebrigatinib
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC29H39ClN7O2P
Net Charge0
Average Mass584.105
Monoisotopic Mass583.25914
SMILESCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)/c(=N/c2ccccc2P(C)(C)=O)n1
InChIInChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
InChIKeyAILRADAXUVEEIR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
brigatinib (CHEBI:232810) has role antineoplastic agent (CHEBI:35610)
brigatinib (CHEBI:232810) has role tyrosine kinase inhibitor (CHEBI:38637)
brigatinib (CHEBI:232810) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
Synonym  Source
AP26113SUBMITTER
Manual XrefsDatabases
HMDB0249380HMDB
D10866KEGG DRUG
https://en.wikipedia.org/wiki/BrigatinibWikipedia
Registry NumbersSources
CAS:1197953-54-0SUBMITTER
Citations