The Drug Ontology

Last uploaded: December 20, 2024
Preferred Name

edoxaban
Synonyms

DU-176

edoxaban

N(1)-(5-chloropyridin-2-yl)-N(2)-{(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl}ethanediamide

Definitions

A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.

ID

http://purl.obolibrary.org/obo/CHEBI_85973

alternative label

DU-176

edoxaban

N(1)-(5-chloropyridin-2-yl)-N(2)-{(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl}ethanediamide

charge

0

database_cross_reference

KEGG:D09710

PMID:26019695

PMID:25925842

PMID:25566930

PMID:25969414

PMID:25403645

PMID:25791908

PMID:25809373

Drug_Central:4897

PMID:25653574

PMID:25416564

PMID:25855704

PMID:25669624

PMID:24973057

PMID:25965706

PMID:26011596

Reaxys:11407476

PMID:25966665

PMID:25419685

Wikipedia:Edoxaban

PMID:25596250

CAS:480449-70-5

PMID:25687352

PMID:24911450

PMID:25732432

PMID:25769361

PMID:25769357

PMID:25311731

PMID:25971288

definition

A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.

formula

C24H30ClN7O4S

has characteristic

http://purl.obolibrary.org/obo/CHEBI_50249

http://purl.obolibrary.org/obo/CHEBI_68581

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

has role

http://purl.obolibrary.org/obo/CHEBI_50249

http://purl.obolibrary.org/obo/CHEBI_68581

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

has_exact_synonym

N(1)-(5-chloropyridin-2-yl)-N(2)-{(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl}ethanediamide

has_obo_namespace

chebi_ontology

has_related_synonym

DU-176

edoxaban

has_RxCUI

1599538

id

CHEBI:85973

in_subset

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

inchi

InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1

inchikey

HGVDHZBSSITLCT-JLJPHGGASA-N

is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_85976

label

edoxaban

mass

548.05800

monoisotopicmass

547.17685

notation

CHEBI:85973

prefLabel

edoxaban

smiles

CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1

subClassOf

http://purl.obolibrary.org/obo/CHEBI_46956

http://purl.obolibrary.org/obo/CHEBI_29347

http://purl.obolibrary.org/obo/CHEBI_39173

http://purl.obolibrary.org/obo/CHEBI_50996

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Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_85973 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_85973 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_85973 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_85973 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_85973 DDSS SAME_URI
http://purl.bioontology.org/ontology/LNC/LP220255-6 LOINC LOOM
http://www.ustb.edu.cn/thesauri/tocr/v1/data#C571352688529240133 ACVD_ONTOLOGY LOOM
http://www.semanticweb.org/maria/ontologies/2023/1/OntologiaByMAF#OWLClass_abf59932_96cc_4204_a99a_2feb224dce18 SP_ONTOLOGY LOOM
http://purl.bioontology.org/ontology/LNC/LA28657-7 LOINC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C552171 RH-MESH LOOM
http://purl.bioontology.org/ontology/ATC/B01AF03 ATC LOOM
https://go.drugbank.com/drugs/DB09075 MDM LOOM
http://purl.obolibrary.org/obo/CHEBI_85973 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_85973 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_85973 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_85973 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_85973 DDSS LOOM
http://purl.bioontology.org/ontology/VANDF/4034081 VANDF LOOM
http://purl.jp/bio/4/id/201106045041035119 IOBC LOOM
http://purl.bioontology.org/ontology/NDDF/015852 NDDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C96539 NCIT LOOM
http://purl.obolibrary.org/obo/NCIT_C96539 BERO LOOM
http://purl.bioontology.org/ontology/RXNORM/1599538 RXNORM LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/712778008 SNOMEDCT LOOM
http://stirdf.jst.go.jp/id/201007083102189373 IOBC LOOM
http://purl.bioontology.org/ontology/LNC/MTHU054567 LOINC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000191384 NDFRT LOOM
http://purl.bioontology.org/ontology/MESH/C552171 MESH LOOM
http://www.semanticweb.org/ontologies/STO.owl#OWLClass_d954c6ec_2f38_498c_a19f_cd5ffb6c461b STO-DRAFT LOOM
http://www.semanticweb.org/ontologies/STO.owl#OWLClass_d954c6ec_2f38_498c_a19f_cd5ffb6c461b CVAO LOOM
http://bmi.utah.edu/ontologies/peontology/C2975435 PE LOOM