CHEBI:62268 - alectinib hydrochloride

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ChEBI Name alectinib hydrochloride
ChEBI ID CHEBI:62268
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Secondary ChEBI IDs CHEBI:90935
Supplier Information eMolecules:3714906
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Wikipedia License
Alectinib (INN), sold under the brand name Alecensa, is an anticancer medication that is used to treat non-small-cell lung cancer (NSCLC). It blocks the activity of anaplastic lymphoma kinase (ALK). It is taken by mouth. It was developed by Chugai Pharmaceutical Co. Japan, which is part of the Hoffmann-La Roche group. The most common side effects include constipation, muscle pain and edema (swelling) including of the ankles and feet, the face, the eyelids and the area around the eyes. Alectinib was approved for medical use in Japan in 2014, the United States in 2015, Canada in 2016, Australia in 2017, the European Union in 2017, and the United Kingdom in 2021.
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Formula C30H35ClN4O2
Net Charge 0
Average Mass 519.079
Monoisotopic Mass 518.24485
InChI InChI=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
InChIKey GYABBVHSRIHYJR-UHFFFAOYSA-N
SMILES Cl.C1OCCN(C1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(C5=C(C4(C)C)NC=6C5=CC=C(C6)C#N)=O
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
AF-802 hydrochloride ChemIDplus
alectinib monohydrochloride ChEBI
CH5424802 ChEBI
Brand Name Source
Alecensa ChemIDplus
Manual Xrefs Databases
Alectinib Wikipedia
D10450 KEGG DRUG
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Registry Numbers Types Sources
1256589-74-8 CAS Registry Number ChemIDplus
23594297 Reaxys Registry Number Reaxys
Citations Types Sources
21575866 PubMed citation SUBMITTER
24509625 PubMed citation Europe PMC
24736079 PubMed citation Europe PMC
24887559 PubMed citation Europe PMC
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25526238 PubMed citation Europe PMC
25556163 PubMed citation Europe PMC
25678258 PubMed citation Europe PMC
26082648 PubMed citation Europe PMC
26753004 PubMed citation Europe PMC
PMC4699265 PubMed Central citation Europe PMC
Last Modified
13 January 2016