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CHEBI:62268 - alectinib hydrochloride

ChEBI IDCHEBI:62268
ChEBI Namealectinib hydrochloride
Stars
DefinitionA hydrochloride obtained by combining alectinib with one molar equivalent of hydrochloric acid. Used for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer.
Secondary ChEBI IDCHEBI:90935
Last Modified13 January 2016
SubmitterMargaret Duesbury, Steve
DownloadsMolfile
FormulaC30H34N4O2.HCl
Net Charge0
Average Mass519.089
Monoisotopic Mass518.24485
SMILESCCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1nc3cc(C#N)ccc3c1C2=O.Cl
InChIInChI=1S/C30H34N4O2.ClH/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29;/h5-6,15-17,21,32H,4,7-14H2,1-3H3;1H
InChIKeyGYABBVHSRIHYJR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
alectinib hydrochloride (CHEBI:62268) has part alectinib(1+) (CHEBI:90937)
alectinib hydrochloride (CHEBI:62268) has role antineoplastic agent (CHEBI:35610)
alectinib hydrochloride (CHEBI:62268) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
alectinib hydrochloride (CHEBI:62268) is a hydrochloride (CHEBI:36807)
IUPAC Name 
9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile hydrochloride
Synonyms  Source
AF-802 hydrochlorideChemIDplus
alectinib monohydrochlorideChEBI
CH5424802ChEBI
Brand Name  Source
AlecensaChemIDplus
Manual XrefsDatabases
AlectinibWikipedia
D10450KEGG DRUG
Registry NumbersSources
Reaxys:23594297Reaxys
CAS:1256589-74-8ChemIDplus
Citations