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
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Formula C30H35ClN4O2
Net Charge 0
Average Mass 519.079
Monoisotopic Mass 518.245
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 Waiting for Citations Types Sources
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Last Modified
13 January 2016