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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:cangrelor
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Accession:CHEBI:90841 term browser browse the term
Definition:A nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries.
Synonyms:exact_synonym: 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine
 related_synonym: Formula=C17H25Cl2F3N5O12P3S2;   InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1;   InChIKey=PAEBIVWUMLRPSK-IDTAVKCVSA-N;   SMILES=C1(=NC(=C2C(=N1)N(C=N2)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)COP(OP(C(P(O)(=O)O)(Cl)Cl)(=O)O)(=O)O)NCCSC)SCCC(F)(F)F
 xref: CAS:163706-06-7;   Drug_Central:5006;   KEGG:D03359
 xref_mesh: MESH:C117446
 xref: PMID:24057605;   PMID:24080586;   PMID:24192670;   PMID:24285121;   PMID:24393016;   PMID:24479981;   PMID:24630878;   PMID:24656538;   PMID:24762247;   PMID:24879371;   PMID:25089928;   PMID:25123696;   PMID:25703887;   PMID:25728292;   PMID:25728646;   PMID:25785060;   PMID:26024789;   PMID:26201463;   PMID:26270719;   PMID:26283269;   PMID:26381736;   PMID:26400827;   PMID:26444255;   PMID:26680584;   Reaxys:8303713;   Wikipedia:Cangrelor
 cyclic_relationship: is_conjugate_acid_of CHEBI:90843



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cangrelor term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G F3 coagulation factor III, tissue factor multiple interactions EXP cangrelor results in decreased expression of and results in decreased activity of F3 protein; Indomethacin promotes the reaction [cangrelor results in decreased expression of and results in decreased activity of F3 protein] CTD PMID:20200314 NCBI chr 1:94,529,173...94,541,759
Ensembl chr 1:94,529,173...94,541,759
JBrowse link
G GPR17 G protein-coupled receptor 17 multiple interactions ISO cangrelor inhibits the reaction [Uridine Diphosphate results in increased activity of GPR17 protein] CTD PMID:18974869 NCBI chr 2:127,646,153...127,652,639
Ensembl chr 2:127,645,864...127,652,639
JBrowse link
G ITGA2B integrin subunit alpha 2b multiple interactions EXP cangrelor inhibits the reaction [Adenosine Diphosphate analog results in increased expression of [ITGA2B protein binds to ITGB3 protein]]; N(6)-methyl-2'-deoxyadenosine 3',5'-diphosphate promotes the reaction [cangrelor inhibits the reaction [Adenosine Diphosphate analog results in increased expression of [ITGA2B protein binds to ITGB3 protein]]] CTD PMID:18404433 NCBI chr17:44,372,181...44,389,649
Ensembl chr17:44,372,180...44,389,649
JBrowse link
G ITGB3 integrin subunit beta 3 multiple interactions EXP cangrelor inhibits the reaction [Adenosine Diphosphate analog results in increased expression of [ITGA2B protein binds to ITGB3 protein]]; N(6)-methyl-2'-deoxyadenosine 3',5'-diphosphate promotes the reaction [cangrelor inhibits the reaction [Adenosine Diphosphate analog results in increased expression of [ITGA2B protein binds to ITGB3 protein]]] CTD PMID:18404433 NCBI chr17:47,253,827...47,313,743
Ensembl chr17:47,253,827...47,313,743
JBrowse link
G P2RY12 purinergic receptor P2Y12 multiple interactions
decreases activity
affects response to substance
EXP [cangrelor binds to and results in decreased activity of P2RY12 protein] which results in decreased abundance of phosphatidylinositol 3,4,5-triphosphate; [cangrelor binds to and results in decreased activity of P2RY12 protein] which results in decreased phosphorylation of SYK protein
cangrelor results in decreased activity of P2RY12 protein
P2RY12 gene polymorphism affects the susceptibility to cangrelor
CTD PMID:12606772 PMID:20126830 PMID:22273509 NCBI chr 3:151,336,843...151,384,753
Ensembl chr 3:151,336,843...151,384,753
JBrowse link
G PF4 platelet factor 4 multiple interactions EXP cangrelor inhibits the reaction [thrombin receptor-activating peptide SFLLRNPNDKY results in increased secretion of PF4 protein] CTD PMID:22273509 NCBI chr 4:73,980,811...73,982,124
Ensembl chr 4:73,980,811...73,982,027
JBrowse link
G SELP selectin P multiple interactions EXP cangrelor inhibits the reaction [Adenosine Diphosphate analog results in increased expression of SELP protein]; N(6)-methyl-2'-deoxyadenosine 3',5'-diphosphate promotes the reaction [cangrelor inhibits the reaction [Adenosine Diphosphate analog results in increased expression of SELP protein]] CTD PMID:18404433 NCBI chr 1:169,588,849...169,630,124
Ensembl chr 1:169,588,849...169,630,193
JBrowse link
G SYK spleen associated tyrosine kinase multiple interactions EXP [cangrelor binds to and results in decreased activity of P2RY12 protein] which results in decreased phosphorylation of SYK protein CTD PMID:12606772 NCBI chr 9:90,801,600...90,898,549
Ensembl chr 9:90,801,787...90,898,549
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      application 25172
        pharmaceutical 24558
          drug 24544
            hematologic agent 5010
              platelet aggregation inhibitor 3775
                cangrelor 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      chalcogen 24917
                        oxygen atom 24817
                          oxygen molecular entity 24806
                            hydroxides 24049
                              oxoacid 22975
                                pnictogen oxoacid 13799
                                  phosphorus oxoacid 12848
                                    phosphoric acids 11880
                                      phosphoric acid 11872
                                        phosphoric acid derivative 11674
                                          phosphate 11673
                                            organic phosphate 11673
                                              carbohydrate phosphate 1897
                                                phospho sugar 1742
                                                  aldose phosphate 1739
                                                    aldopentose phosphate 1731
                                                      ribose phosphate 1724
                                                        ribonucleotide 1683
                                                          purine ribonucleotide 1650
                                                            adenyl ribonucleotide 1348
                                                              adenosine phosphate 305
                                                                adenosine 5'-phosphate 304
                                                                  cangrelor 8
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