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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 Acsl4 acyl-CoA synthetase long-chain family member 4 multiple interactions
decreases expression 		ISO [Betulinic Acid co-treated with regorafenib] results in decreased expression of ACSL4 protein
regorafenib results in decreased expression of ACSL4 protein 		CTD PMID:39067772 NCBI chr  X:110,739,633...110,803,416
Ensembl chr  X:110,739,648...110,803,261 		JBrowse link
G Akt1 AKT serine/threonine kinase 1 decreases phosphorylation EXP
ISO 		regorafenib results in decreased phosphorylation of AKT1 protein CTD PMID:39348200 NCBI chr 6:137,534,810...137,555,131
Ensembl chr 6:137,535,390...137,552,610 		JBrowse link
G Atp5f1a ATP synthase F1 subunit alpha decreases expression EXP regorafenib results in decreased expression of ATP5F1A protein CTD PMID:33166663 NCBI chr18:73,567,537...73,575,473
Ensembl chr18:73,567,526...73,575,922 		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 chr16:52,395,539...52,413,794
Ensembl chr16:52,395,540...52,413,732 		JBrowse link
G Casp8 caspase 8 increases activity ISO regorafenib results in increased activity of CASP8 protein CTD PMID:30801954 NCBI chr 9:67,747,109...67,806,699
Ensembl chr 9:67,758,033...67,806,699 		JBrowse link
G Ccnd1 cyclin D1 decreases expression ISO regorafenib results in decreased expression of CCND1 protein CTD PMID:30801954 NCBI chr 1:209,518,288...209,527,986
Ensembl chr 1:209,518,288...209,527,810 		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 chr12:14,321,771...14,343,886
Ensembl chr12:14,321,771...14,343,857 		JBrowse link
G Dnm1l dynamin 1-like increases expression EXP regorafenib results in increased expression of DNM1L mRNA CTD PMID:33166663 NCBI chr11:98,084,049...98,135,663
Ensembl chr11:98,085,397...98,137,420 		JBrowse link
G Epha2 Eph receptor A2 decreases expression
multiple interactions 		ISO
EXP 		regorafenib results in decreased expression of EPHA2 mRNA; regorafenib results in decreased expression of EPHA2 protein
schizandrin C inhibits the reaction [regorafenib results in decreased expression of EPHA2 mRNA] 		CTD PMID:39348200 NCBI chr 5:158,888,629...158,917,100
Ensembl chr 5:158,888,629...158,917,234 		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 1:241,212,155...241,245,774
Ensembl chr 1:241,205,935...241,246,104 		JBrowse link
G Faslg Fas ligand increases activity ISO regorafenib results in increased activity of FASLG protein CTD PMID:30801954 NCBI chr13:76,680,885...76,706,042
Ensembl chr13:76,688,243...76,695,503 		JBrowse link
G Fis1 fission, mitochondrial 1 increases expression EXP regorafenib results in increased expression of FIS1 mRNA CTD PMID:33166663 NCBI chr12:25,345,239...25,360,135
Ensembl chr12:25,345,239...25,349,335 		JBrowse link
G Gpt glutamic--pyruvic transaminase increases secretion ISO regorafenib results in increased secretion of GPT protein CTD PMID:29655783 NCBI chr 7:110,295,599...110,300,134
Ensembl chr 7:110,296,206...110,300,160 		JBrowse link
G Hspd1 heat shock protein family D (Hsp60) member 1 decreases expression ISO regorafenib results in decreased expression of HSPD1 protein CTD PMID:39348200 NCBI chr 9:64,073,610...64,084,332
Ensembl chr 9:64,073,611...64,084,037 		JBrowse link
G Mapk1 mitogen activated protein kinase 1 decreases phosphorylation
multiple interactions 		ISO regorafenib results in decreased phosphorylation of MAPK1 protein
[Betulinic Acid co-treated with regorafenib] results in decreased phosphorylation of MAPK1 protein 		CTD PMID:30801954 PMID:39067772 NCBI chr11:97,462,025...97,529,193
Ensembl chr11:97,462,025...97,527,825 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 decreases phosphorylation
multiple interactions 		ISO regorafenib results in decreased phosphorylation of MAPK3 protein
[Betulinic Acid co-treated with regorafenib] results in decreased phosphorylation of MAPK3 protein 		CTD PMID:30801954 PMID:39067772 NCBI chr 1:190,797,189...190,803,411
Ensembl chr 1:190,797,185...190,803,411 		JBrowse link
G Mfn1 mitofusin 1 increases expression EXP regorafenib results in increased expression of MFN1 mRNA CTD PMID:33166663 NCBI chr 2:117,240,525...117,288,017
Ensembl chr 2:117,241,759...117,290,190 		JBrowse link
G Mfn2 mitofusin 2 increases expression EXP regorafenib results in increased expression of MFN2 mRNA CTD PMID:33166663 NCBI chr 5:163,587,463...163,617,363
Ensembl chr 5:163,587,463...163,618,495 		JBrowse link
G Mmp9 matrix metallopeptidase 9 decreases expression ISO regorafenib results in decreased expression of MMP9 protein CTD PMID:30801954 NCBI chr 3:174,103,474...174,111,434
Ensembl chr 3:174,084,123...174,111,442 		JBrowse link
G Mt-atp6 mitochondrially encoded ATP synthase membrane subunit 6 affects expression ISO regorafenib affects the expression of ATP6 mRNA CTD PMID:39348200 NCBI chr MT:7,919...8,599
Ensembl chr MT:7,904...8,584 		JBrowse link
G Myc MYC proto-oncogene, bHLH transcription factor multiple interactions ISO [Betulinic Acid co-treated with regorafenib] results in decreased expression of MYC protein CTD PMID:39067772 NCBI chr 7:95,483,105...95,488,031
Ensembl chr 7:95,483,105...95,488,028 		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 1:253,357,878...253,362,936
Ensembl chr 1:253,357,841...253,362,936 		JBrowse link
G Opa1 OPA1, mitochondrial dynamin like GTPase increases expression EXP regorafenib results in increased expression of OPA1 mRNA CTD PMID:33166663 NCBI chr11:84,612,943...84,690,025
Ensembl chr11:84,615,340...84,689,955 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases cleavage
multiple interactions 		ISO
EXP 		regorafenib results in increased cleavage of PARP1 protein
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone inhibits the reaction [regorafenib results in increased cleavage of PARP1 protein]; schizandrin C inhibits the reaction [regorafenib results in increased cleavage of PARP1 protein] 		CTD PMID:30801954 PMID:39348200 NCBI chr13:94,839,484...94,871,295
Ensembl chr13:94,839,433...94,871,567 		JBrowse link
G Ppara peroxisome proliferator activated receptor alpha multiple interactions ISO [Betulinic Acid co-treated with regorafenib] results in increased expression of PPARA protein CTD PMID:39067772 NCBI chr 7:118,712,261...118,780,723
Ensembl chr 7:118,712,412...118,780,714 		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 1:212,354,336...212,364,815
Ensembl chr 1:212,333,035...212,364,817 		JBrowse link
G Rpl13 ribosomal protein L13 affects expression ISO regorafenib affects the expression of RPL13 mRNA CTD PMID:39348200 NCBI chr19:68,062,442...68,065,065
Ensembl chr19:68,062,493...68,065,059 		JBrowse link
G Rxra retinoid X receptor alpha multiple interactions ISO [Betulinic Acid co-treated with regorafenib] results in decreased expression of RXRA protein CTD PMID:39067772 NCBI chr 3:31,387,892...31,474,415
Ensembl chr 3:31,388,223...31,474,417 		JBrowse link
G Sod2 superoxide dismutase 2 increases expression EXP regorafenib results in increased expression of SOD2 mRNA CTD PMID:33166663 NCBI chr 1:50,043,323...50,050,168
Ensembl chr 1:50,043,325...50,050,168 		JBrowse link
G Tomm20 translocase of outer mitochondrial membrane 20 decreases expression ISO regorafenib results in decreased expression of TOMM20 protein CTD PMID:39348200 NCBI chr19:71,822,429...71,832,420
Ensembl chr19:71,822,411...71,832,510 		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 9:22,452,854...22,468,194
Ensembl chr 9:22,439,392...22,468,194 		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:125,756,107...125,803,979
Ensembl chr  X:125,737,971...125,803,978 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      biological role 20818
        aetiopathogenetic role 19855
          hepatotoxic agent 16614
            regorafenib 32
              regorafenib hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    p-block element atom 20781
                      carbon group element atom 20715
                        carbon atom 20710
                          organic molecular entity 20710
                            heteroorganic entity 20219
                              organochalcogen compound 19904
                                organooxygen compound 19806
                                  carbon oxoacid 19155
                                    carboxylic acid 19152
                                      carboacyl group 18085
                                        univalent carboacyl group 18085
                                          carbamoyl group 17921
                                            carboxamide 17921
                                              monocarboxylic acid amide 15953
                                                urea 6336
                                                  ureas 6334
                                                    phenylureas 2694
                                                      regorafenib 32
                                                        regorafenib hydrate 0
paths to the root