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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 6:22,879,653...23,599,636
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 19874
    chemical entity 19872
      group 19825
        pseudohalo group 4580
          cyano group 4580
            nitrile 4580
              alectinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            organic molecule 19700
                              organic cyclic compound 19490
                                organic heterocyclic compound 18868
                                  organic heteromonocyclic compound 17791
                                    oxazinane 907
                                      morpholines 907
                                        alectinib 3
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