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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:alectinib
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Accession:CHEBI:90936 term browser browse the term
Definition:An organic heterotetracyclic compound that is 6,6-dimethyl-5,6-dihydro-11H-benzo[b]carbazol-11-one carrying additional cyano, 4-(morpholin-4-yl)piperidin-1-yl and ethyl substituents at positions 3, 8 and 9 respectively. Used (as the hydrochloride salt) for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer.
Synonyms:exact_synonym: 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
 related_synonym: AF 802;   CH 5424802;   CH5424802;   Formula=C30H34N4O2;   InChI=1S/C30H34N4O2/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;   InChIKey=KDGFLJKFZUIJMX-UHFFFAOYSA-N;   SMILES=C1OCCN(C1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(C5=C(C4(C)C)NC=6C5=CC=C(C6)C#N)=O
 xref: CAS:1256580-46-7;   Drug_Central:4937;   KEGG:D10542;   LINCS:LSM-1202
 xref_mesh: MESH:C582670
 xref: PDBeChem:EMH;   PMID:24736079;   PMID:24887559;   PMID:25205428;   PMID:25228534;   PMID:25349307;   PMID:25398579;   PMID:25428710;   PMID:25502629;   PMID:25526238;   PMID:25556163;   PMID:25678258;   PMID:25736571;   PMID:25876560;   PMID:26464158;   PMID:26487585;   PMID:26579422;   PMID:26682573;   PMID:26739884;   PMID:26751586;   PMID:26752591;   PMID:26753004;   Reaxys:22302431;   Wikipedia:Alectinib
 cyclic_relationship: is_conjugate_base_of CHEBI:90937


show annotations for term's descendants           Sort by:
alectinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alk ALK receptor tyrosine kinase affects response to substance
decreases activity 		ISO ALK protein affects the susceptibility to alectinib
alectinib results in decreased activity of ALK protein 		CTD PMID:26144315 PMID:29458018 NCBI chr 6:28,631,431...29,351,321
Ensembl chr 6:22,880,625...23,598,034 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 affects metabolic processing ISO CYP3A4 polymorphism affects the metabolism of alectinib CTD PMID:37209178 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO alectinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:108,416,646...108,419,495
Ensembl chr 7:108,416,642...108,419,494 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20845
    chemical entity 20843
      group 20786
        pseudohalo group 4665
          cyano group 4665
            nitrile 4665
              alectinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      carbon group element atom 20699
                        carbon atom 20693
                          organic molecular entity 20693
                            organic molecule 20637
                              organic cyclic compound 20387
                                organic heterocyclic compound 19369
                                  organic heteromonocyclic compound 18157
                                    oxazinane 913
                                      morpholines 913
                                        alectinib 3
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