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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 19860
    chemical entity 19858
      group 19816
        pseudohalo group 4580
          cyano group 4580
            nitrile 4580
              alectinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            organic molecule 19692
                              organic cyclic compound 19503
                                organic heterocyclic compound 18875
                                  organic heteromonocyclic compound 17800
                                    oxazinane 898
                                      morpholines 898
                                        alectinib 3
paths to the root