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
Accession: CHEBI:68647
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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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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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