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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 19918
    chemical entity 19916
      group 19875
        pseudohalo group 4572
          cyano group 4572
            nitrile 4572
              alectinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            organic group 18995
                              organic divalent group 18969
                                organodiyl group 18969
                                  carbonyl group 18922
                                    carbonyl compound 18922
                                      ketone 17210
                                        aromatic ketone 12470
                                          alectinib 3
paths to the root