The Prescription of Drugs Ontology

Last uploaded: September 4, 2020
Preferred Name

Ticagrelor
Synonyms

(1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

AZD 6140

AZD-6140

AZD6140

Brilinta

ticagrelor

(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Definitions

A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.

ID

http://purl.obolibrary.org/obo/CHEBI_68558

alternative term

(1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

AZD 6140

AZD-6140

AZD6140

Brilinta

ticagrelor

(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

bearer_of

http://purl.obolibrary.org/obo/CHEBI_50427

http://purl.obolibrary.org/obo/CHEBI_68563

charge

0

database_cross_reference

Drug_Central:4184

PMID:22991347

KEGG:D09017

HMDB:HMDB0015702

Reaxys:15468079

CAS:274693-27-5

Patent:WO2012085665

formula

C23H28F2N6O4S

has role

http://purl.obolibrary.org/obo/CHEBI_50427

http://purl.obolibrary.org/obo/CHEBI_68563

has_exact_synonym

(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

has_obo_namespace

chebi_ontology

has_related_synonym

(1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

AZD 6140

AZD-6140

AZD6140

Brilinta

ticagrelor

has_RxCUI

1116632

id

CHEBI:68558

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1

inchikey

OEKWJQXRCDYSHL-FNOIDJSQSA-N

label

ticagrelor

Ticagrelor

mass

522.56800

monoisotopicmass

522.18608

notation

CHEBI:68558

prefixIRI

CHEBI:68558

prefLabel

Ticagrelor

smiles

CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1

textual definition

A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.

subClassOf

http://purl.obolibrary.org/obo/CHEBI_50995

http://purl.obolibrary.org/obo/CHEBI_37143

http://purl.obolibrary.org/obo/CHEBI_35683

http://purl.obolibrary.org/obo/CHEBI_48435

http://purl.obolibrary.org/obo/CHEBI_46789

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Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_68558 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68558 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68558 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68558 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68558 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68558 COVID-19 SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68558 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68558 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68558 DRON LOOM
http://purl.bioontology.org/ontology/NDDF/013611 NDDF LOOM
http://purl.bioontology.org/ontology/RXNORM/1116632 RXNORM LOOM
http://purl.bioontology.org/ontology/LNC/LA26705-6 LOINC LOOM
http://purl.obolibrary.org/obo/CHEBI_68558 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_68558 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_68558 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_68558 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_68558 COVID-19 LOOM
http://purl.obolibrary.org/obo/CHEBI_68558 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_68558 DDSS LOOM
http://www.phoc.org.cn/pmo/class/PMO_00025417 PMAPP-PMO LOOM
http://purl.obolibrary.org/obo/NCIT_C76404 BERO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000182973 NDFRT LOOM
http://purl.bioontology.org/ontology/VANDF/4030908 VANDF LOOM
http://purl.bioontology.org/ontology/MESH/D000077486 MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C503700 RH-MESH LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C76404 NCIT LOOM
http://www.semanticweb.org/zchero/ontologies/2023/11/SepsisOntology#Ticagrelor SEPON LOOM
http://www.drugbank.ca/drugs/DB08816 FTC LOOM
http://purl.bioontology.org/ontology/ATC/B01AC24 ATC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/698805004 SNOMEDCT LOOM
http://www.semanticweb.org/admin/ontologies/2022/7/MIO:01071 MIO LOOM
http://www.semanticweb.org/admin/ontologies/2022/7/MIO:01071 MIO LOOM
http://www.semanticweb.org/admin/ontologies/2022/7/MIO:01071 MIO LOOM
http://purl.jp/bio/4/id/201206086339362991 IOBC LOOM
https://go.drugbank.com/drugs/DB08816 MDM LOOM
http://stirdf.jst.go.jp/id/200907061156974772 IOBC LOOM