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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


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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 ISO ALK protein affects the susceptibility to alectinib CTD PMID:29458018 NCBI chr 6:22,696,415...23,203,791
Ensembl chr 6:22,696,397...23,203,775
JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO alectinib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:117,759,083...117,761,932
Ensembl chr 7:117,759,083...117,761,931
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    chemical entity 19875
      group 19787
        pseudohalo group 2909
          cyano group 2909
            nitrile 2909
              alectinib 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      ketone 16216
                                        aromatic ketone 11936
                                          alectinib 2
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