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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:lorlatinib
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Accession:CHEBI:143117 term browser browse the term
Definition:A cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer.
Synonyms:exact_synonym: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile
 related_synonym: Formula=C21H19FN6O2;   InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1;   InChIKey=IIXWYSCJSQVBQM-LLVKDONJSA-N;   Lorbrena;   PF-06463922;   PF06463922;   PFE-PKIS 10;   SMILES=C=1C=C(C=C2C1C(=O)N(C)CC3=NN(C(=C3C=4C=NC(=C(O[C@@H]2C)C4)N)C#N)C)F;   loratinib;   lorlatinibum
 xref: CAS:1454846-35-5;   DrugBank:DB12130;   KEGG:D11012
 xref_mesh: MESH:C000590786
 xref: PDBeChem:5P8;   PMID:24819116;   PMID:25073473;   PMID:25349124;   PMID:25733882;   PMID:26698910;   PMID:26880581;   PMID:27413712;   PMID:28594000;   PMID:29744867;   PMID:30413378;   PMID:30478428;   PMID:30604291;   PMID:30816885;   Wikipedia:Lorlatinib



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lorlatinib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Alk ALK receptor tyrosine kinase multiple interactions ISO lorlatinib results in decreased phosphorylation of and results in decreased activity of ALK protein; lorlatinib results in decreased phosphorylation of and results in decreased activity of ALK protein mutant form CTD PMID:26144315 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 multiple interactions ISO lorlatinib inhibits the reaction [Rifampin results in increased activity of CYP3A4 protein] CTD PMID:34021354 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Ros1 ROS proto-oncogene 1 , receptor tyrosine kinase decreases activity
multiple interactions
ISO lorlatinib results in decreased activity of ROS1 protein mutant form
lorlatinib binds to and results in decreased activity of ROS1 protein
CTD PMID:25733882 NCBI chr20:31,432,636...31,583,998
Ensembl chr20:31,432,637...31,583,865
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19747
    chemical entity 19745
      group 19707
        pseudohalo group 3931
          cyano group 3931
            nitrile 3931
              lorlatinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19747
    subatomic particle 19745
      composite particle 19745
        hadron 19745
          baryon 19745
            nucleon 19745
              atomic nucleus 19745
                atom 19745
                  main group element atom 19693
                    p-block element atom 19693
                      carbon group element atom 19638
                        carbon atom 19634
                          organic molecular entity 19634
                            organic group 18850
                              organic divalent group 18836
                                organodiyl group 18836
                                  carbonyl group 18802
                                    carbonyl compound 18802
                                      carboxylic acid 18522
                                        carboacyl group 17658
                                          univalent carboacyl group 17658
                                            carbamoyl group 17499
                                              carboxamide 17499
                                                monocarboxylic acid amide 15563
                                                  arenecarboxamide 7310
                                                    benzamides 7310
                                                      lorlatinib 3
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