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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 2:225,310,686...225,322,281
Ensembl chr 2:225,310,624...225,322,272
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 chr18:24,733,306...24,739,194
Ensembl chr18:24,734,330...24,735,349
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 chr10:90,397,960...90,416,550
Ensembl chr10:90,398,132...90,415,070
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 chr10:92,667,869...92,783,413
Ensembl chr10:92,667,869...92,783,410
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 2:149,440,807...149,482,592
Ensembl chr 2:149,441,598...149,444,548
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 chr14:18,848,549...18,849,258
Ensembl chr14:18,848,549...18,849,258
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 chr13:82,428,914...82,464,629
Ensembl chr13:82,429,063...82,464,628
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 chr17:12,614,311...12,669,568
Ensembl chr17:12,614,311...12,669,573
JBrowse link

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  CHEBI ontology 19770
    role 19720
      application 19411
        pharmaceutical 19299
          drug 19299
            hematologic agent 4389
              platelet aggregation inhibitor 3361
                cangrelor 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      chalcogen 19391
                        oxygen atom 19354
                          oxygen molecular entity 19354
                            hydroxides 19077
                              oxoacid 18278
                                pnictogen oxoacid 10308
                                  phosphorus oxoacid 9229
                                    phosphoric acids 7949
                                      phosphoric acid 7949
                                        phosphoric acid derivative 7630
                                          phosphate 7630
                                            organic phosphate 7629
                                              carbohydrate phosphate 1713
                                                phospho sugar 1638
                                                  aldose phosphate 1636
                                                    aldopentose phosphate 1630
                                                      ribose phosphate 1625
                                                        ribonucleotide 1586
                                                          purine ribonucleotide 1558
                                                            adenyl ribonucleotide 1258
                                                              adenosine phosphate 265
                                                                adenosine 5'-phosphate 264
                                                                  cangrelor 8
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