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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 chr18:23,576,212...23,583,177
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
affects response to substance
decreases activity
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
P2RY12 gene polymorphism affects the susceptibility to cangrelor
cangrelor results in decreased activity of P2RY12 protein
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 chr14:17,298,438...17,299,148
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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  CHEBI ontology 20050
    role 20001
      application 19737
        pharmaceutical 19610
          drug 19610
            hematologic agent 4412
              platelet aggregation inhibitor 3385
                cangrelor 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      chalcogen 19673
                        oxygen atom 19644
                          oxygen molecular entity 19644
                            hydroxides 19375
                              oxoacid 18675
                                pnictogen oxoacid 10750
                                  phosphorus oxoacid 9743
                                    phosphoric acids 8547
                                      phosphoric acid 8547
                                        phosphoric acid derivative 8248
                                          phosphate 8248
                                            organic phosphate 8247
                                              carbohydrate phosphate 1742
                                                phospho sugar 1666
                                                  aldose phosphate 1664
                                                    aldopentose phosphate 1656
                                                      ribose phosphate 1651
                                                        ribonucleotide 1614
                                                          purine ribonucleotide 1587
                                                            adenyl ribonucleotide 1291
                                                              adenosine phosphate 281
                                                                adenosine 5'-phosphate 280
                                                                  cangrelor 8
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