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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;   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;   regorafenibum
 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 Atp5f1a ATP synthase F1 subunit alpha decreases expression EXP regorafenib results in decreased expression of ATP5F1A protein CTD PMID:33166663 NCBI chr18:71,292,406...71,300,342
Ensembl chr18:71,292,374...71,300,794 		JBrowse link
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 chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Casp8 caspase 8 increases activity ISO regorafenib results in increased activity of CASP8 protein CTD PMID:30801954 NCBI chr 9:60,263,863...60,312,542
Ensembl chr 9:60,264,075...60,312,542 		JBrowse link
G Ccnd1 cyclin D1 decreases expression ISO regorafenib results in decreased expression of CCND1 protein CTD PMID:30801954 NCBI chr 1:200,089,002...200,098,524
Ensembl chr 1:200,089,002...200,098,602 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases metabolic processing
affects metabolic processing		 ISO CYP3A4 protein results in increased metabolism of regorafenib
CYP3A4 polymorphism affects the metabolism of regorafenib		 CTD PMID:31293154 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Dnm1l dynamin 1-like increases expression EXP regorafenib results in increased expression of DNM1L mRNA CTD PMID:33166663 NCBI chr11:84,581,216...84,632,382
Ensembl chr11:84,581,216...84,631,482 		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 1:231,798,963...231,832,591
Ensembl chr 1:231,798,960...231,832,591 		JBrowse link
G Faslg Fas ligand increases activity ISO regorafenib results in increased activity of FASLG protein CTD PMID:30801954 NCBI chr13:74,151,519...74,172,760
Ensembl chr13:74,154,954...74,162,215 		JBrowse link
G Fis1 fission, mitochondrial 1 increases expression EXP regorafenib results in increased expression of FIS1 mRNA CTD PMID:33166663 NCBI chr12:19,708,558...19,723,392
Ensembl chr12:19,708,558...19,723,377 		JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO regorafenib 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
G Mapk1 mitogen activated protein kinase 1 decreases phosphorylation ISO regorafenib results in decreased phosphorylation of MAPK1 protein CTD PMID:30801954 NCBI chr11:83,957,813...84,023,629
Ensembl chr11:83,957,813...84,023,616 		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 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863 		JBrowse link
G Mfn1 mitofusin 1 increases expression EXP regorafenib results in increased expression of MFN1 mRNA CTD PMID:33166663 NCBI chr 2:115,313,380...115,359,651
Ensembl chr 2:115,313,401...115,359,640 		JBrowse link
G Mfn2 mitofusin 2 increases expression EXP regorafenib results in increased expression of MFN2 mRNA CTD PMID:33166663 NCBI chr 5:158,304,285...158,335,502
Ensembl chr 5:158,304,287...158,335,342 		JBrowse link
G Mmp9 matrix metallopeptidase 9 decreases expression ISO regorafenib results in decreased expression of MMP9 protein CTD PMID:30801954 NCBI chr 3:153,684,158...153,692,118
Ensembl chr 3:153,683,858...153,692,120 		JBrowse link
G Ndufb8 NADH:ubiquinone oxidoreductase subunit B8 decreases expression EXP regorafenib results in decreased expression of NDUFB8 protein CTD PMID:33166663 NCBI chr 1:243,408,659...243,413,701
Ensembl chr 1:243,408,619...243,413,817 		JBrowse link
G Opa1 OPA1, mitochondrial dynamin like GTPase increases expression EXP regorafenib results in increased expression of OPA1 mRNA CTD PMID:33166663 NCBI chr11:71,108,100...71,185,170
Ensembl chr11:71,109,873...71,185,109 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage ISO regorafenib results in increased cleavage of PARP1 protein CTD PMID:30801954 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404 		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 1:202,925,001...202,935,484
Ensembl chr 1:202,924,945...202,935,484 		JBrowse link
G Sod2 superoxide dismutase 2 increases expression EXP regorafenib results in increased expression of SOD2 mRNA CTD PMID:33166663 NCBI chr 1:47,638,318...47,645,163
Ensembl chr 1:47,636,528...47,645,189 		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 9:14,955,300...14,970,641
Ensembl chr 9:14,955,300...14,970,641 		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:120,890,537...120,938,413
Ensembl chr  X:120,897,907...120,934,700 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19747
    role 19720
      biological role 19718
        aetiopathogenetic role 19086
          hepatotoxic agent 16281
            regorafenib 22
              regorafenib hydrate 0
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
                                                  urea 5145
                                                    ureas 5143
                                                      phenylureas 2071
                                                        regorafenib 22
                                                          regorafenib hydrate 0
paths to the root