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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 ISO 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 2:209,827,061...209,838,666
Ensembl chr 2:209,826,959...209,838,668
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 chr18:23,576,232...23,583,153
Ensembl chr18:23,577,242...23,582,966
JBrowse link
G Itga2b integrin subunit alpha 2b multiple interactions ISO 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 chr10:87,408,532...87,426,055
Ensembl chr10:87,408,536...87,426,168
JBrowse link
G Itgb3 integrin subunit beta 3 multiple interactions ISO 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 chr10:89,509,917...89,564,679
Ensembl chr10:89,509,989...89,564,679
JBrowse link
G P2ry12 purinergic receptor P2Y12 multiple interactions
decreases activity
affects response to substance
ISO [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 2:143,481,468...143,523,340
Ensembl chr 2:143,481,430...143,523,361
JBrowse link
G Pf4 platelet factor 4 multiple interactions ISO cangrelor inhibits the reaction [thrombin receptor-activating peptide SFLLRNPNDKY results in increased secretion of PF4 protein] CTD PMID:22273509 NCBI chr14:17,298,304...17,299,220
Ensembl chr14:17,298,308...17,299,365
JBrowse link
G Selp selectin P multiple interactions ISO 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 chr13:76,476,229...76,511,846
Ensembl chr13:76,476,295...76,511,845
JBrowse link
G Syk spleen associated tyrosine kinase multiple interactions ISO [cangrelor binds to and results in decreased activity of P2RY12 protein] which results in decreased phosphorylation of SYK protein CTD PMID:12606772 NCBI chr17:12,604,615...12,678,437
Ensembl chr17:12,604,619...12,661,410
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      application 19734
        pharmaceutical 19573
          drug 19573
            hematologic agent 4994
              platelet aggregation inhibitor 3785
                cangrelor 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      chalcogen 19614
                        oxygen atom 19586
                          oxygen molecular entity 19586
                            hydroxides 19389
                              oxoacid 18823
                                pnictogen oxoacid 14983
                                  phosphorus oxoacid 14581
                                    phosphoric acids 13923
                                      phosphoric acid 13923
                                        phosphoric acid derivative 13829
                                          phosphate 13828
                                            organic phosphate 13828
                                              carbohydrate phosphate 1871
                                                phospho sugar 1716
                                                  aldose phosphate 1713
                                                    aldopentose phosphate 1705
                                                      ribose phosphate 1700
                                                        ribonucleotide 1662
                                                          purine ribonucleotide 1620
                                                            adenyl ribonucleotide 1306
                                                              adenosine phosphate 296
                                                                adenosine 5'-phosphate 295
                                                                  cangrelor 8
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