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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 chr12:9,207,978...9,230,064
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 19811
    chemical entity 19840
      group 19768
        pseudohalo group 4572
          cyano group 4572
            nitrile 4563
              lorlatinib 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      carboacyl group 17675
                                        univalent carboacyl group 17675
                                          carbamoyl group 17524
                                            carboxamide 17547
                                              monocarboxylic acid amide 15660
                                                arenecarboxamide 8245
                                                  benzamides 8250
                                                    lorlatinib 3
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