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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:regorafenib
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Accession:CHEBI:68647 term browser browse the term
Definition:A pyridinecarboxamide obtained by condensation of 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridine-2-carboxylic acid with methylamine. Used for for the treatment of metastatic colorectal cancer in patients who have previously received chemotherapy, anti-EGFR or anti-VEGF therapy.
Synonyms:exact_synonym: 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
 related_synonym: BAY 73-4506;   Formula=C21H15ClF4N4O3;   InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32);   InChIKey=FNHKPVJBJVTLMP-UHFFFAOYSA-N;   Regorafenibum;   SMILES=C1(=C(C=C(C=C1)NC(NC2=CC=C(C=C2F)OC3=CC=NC(=C3)C(NC)=O)=O)C(F)(F)F)Cl
 xref: CAS:755037-03-7;   Drug_Central:4654;   KEGG:D10138;   LINCS:LSM-1226
 xref_mesh: MESH:C559147
 xref: PMID:21170960;   PMID:21419931;   PMID:21752724;   PMID:22421192;   PMID:22568966;   PMID:22577890;   PMID:22612461;   PMID:22614970;   PMID:22706543;   PMID:22777740;   PMID:22785409;   PMID:22959186;   Patent:US2006058358;   Patent:WO2006125540;   Patent:WO2007054216;   Patent:WO2007068380;   Patent:WO2007068382;   Patent:WO2008043446;   Patent:WO2008055629;   Patent:WO2008058644;   Patent:WO2008089388;   Patent:WO2008089389;   Patent:WO2011128261;   Patent:WO2011130728;   Reaxys:14359949;   Wikipedia:Regorafenib

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regorafenib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Casp3 caspase 3 increases cleavage
increases activity		 ISO regorafenib results in increased cleavage of CASP3 protein
regorafenib results in increased activity of CASP3 protein		 CTD PMID:29341879 PMID:30801954 NCBI chr16:48,845,011...48,863,249
Ensembl chr16:48,845,012...48,863,204 		JBrowse link
G Casp8 caspase 8 increases activity ISO regorafenib results in increased activity of CASP8 protein CTD PMID:30801954 NCBI chr 9:65,614,142...65,662,624
Ensembl chr 9:65,614,142...65,662,106 		JBrowse link
G Ccnd1 cyclin D1 decreases expression ISO regorafenib results in decreased expression of CCND1 protein CTD PMID:30801954 NCBI chr 1:218,090,750...218,100,447
Ensembl chr 1:218,090,750...218,100,325 		JBrowse link
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 affects metabolic processing
increases metabolic processing		 ISO CYP3A4 polymorphism affects the metabolism of regorafenib
CYP3A4 protein results in increased metabolism of regorafenib		 CTD PMID:31293154 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397 		JBrowse link
G Fas Fas cell surface death receptor increases activity ISO regorafenib results in increased activity of FAS protein CTD PMID:30801954 NCBI chr 1:252,589,785...252,624,790
Ensembl chr 1:252,589,785...252,624,790 		JBrowse link
G Faslg Fas ligand increases activity ISO regorafenib results in increased activity of FASLG protein CTD PMID:30801954 NCBI chr13:79,696,811...79,717,581
Ensembl chr13:79,698,445...79,705,705 		JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO regorafenib 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
G Mapk1 mitogen activated protein kinase 1 decreases phosphorylation ISO regorafenib results in decreased phosphorylation of MAPK1 protein CTD PMID:30801954 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 decreases phosphorylation ISO regorafenib results in decreased phosphorylation of MAPK3 protein CTD PMID:30801954 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975 		JBrowse link
G Mmp9 matrix metallopeptidase 9 decreases expression ISO regorafenib results in decreased expression of MMP9 protein CTD PMID:30801954 NCBI chr 3:161,413,410...161,421,473
Ensembl chr 3:161,413,298...161,421,520 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage ISO regorafenib results in increased cleavage of PARP1 protein CTD PMID:30801954 NCBI chr13:98,857,255...98,889,444
Ensembl chr13:98,857,177...98,889,716 		JBrowse link
G Rela RELA proto-oncogene, NF-kB subunit decreases expression ISO regorafenib results in decreased expression of RELA protein CTD PMID:30801954 NCBI chr 1:220,992,770...221,003,249
Ensembl chr 1:220,992,770...221,003,249 		JBrowse link
G Vegfa vascular endothelial growth factor A decreases expression ISO regorafenib results in decreased expression of VEGFA protein CTD PMID:30801954 NCBI chr 9:17,340,341...17,355,681
Ensembl chr 9:17,340,341...17,355,681 		JBrowse link
G Xiap X-linked inhibitor of apoptosis decreases expression ISO regorafenib results in decreased expression of XIAP protein CTD PMID:30801954 NCBI chr  X:128,409,425...128,455,786
Ensembl chr  X:128,409,472...128,453,000 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      biological role 19716
        aetiopathogenetic role 18967
          hepatotoxic agent 14575
            regorafenib 14
              regorafenib hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        carboacyl group 17416
                                          univalent carboacyl group 17416
                                            carbamoyl group 17213
                                              carboxamide 17213
                                                monocarboxylic acid amide 14602
                                                  urea 5023
                                                    ureas 5020
                                                      phenylureas 2014
                                                        regorafenib 14
                                                          regorafenib hydrate 0
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