The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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Preferred Name

bosentan
Synonyms

4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide

C27H29N5O6S

bosentanum

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide

bosentan

p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide
ID

http://purl.obolibrary.org/obo/CHEBI_51450
AHFScode

24:12.92
ATCCode

C02KX01
blocks

http://purl.obolibrary.org/obo/dinto_0994

http://purl.obolibrary.org/obo/dinto_0190
CASRN

147536-97-8
DBBrand

tracleer
DBname

bosentan
DBSynonym

bosentan hydrate
Definition

A pyrimidine that has formula C27H29N5O6S.
has effect

http://purl.obolibrary.org/obo/OAE_0000388

http://purl.obolibrary.org/obo/OAE_0000879

http://purl.obolibrary.org/obo/OAE_0001297

http://purl.obolibrary.org/obo/OAE_0000496

http://purl.obolibrary.org/obo/OAE_0001285

http://purl.obolibrary.org/obo/OAE_0000449

http://purl.obolibrary.org/obo/OAE_0000720

http://purl.obolibrary.org/obo/OAE_0000453

http://purl.obolibrary.org/obo/OAE_0001373

http://purl.obolibrary.org/obo/OAE_0000557

http://purl.obolibrary.org/obo/OAE_0000905

http://purl.obolibrary.org/obo/OAE_0001098

http://purl.obolibrary.org/obo/OAE_0000377

http://purl.obolibrary.org/obo/OAE_0000902

http://purl.obolibrary.org/obo/OAE_0000391

http://purl.obolibrary.org/obo/OAE_0000630

http://purl.obolibrary.org/obo/OAE_0000218

http://purl.obolibrary.org/obo/OAE_0000376

http://purl.obolibrary.org/obo/OAE_0000335

http://purl.obolibrary.org/obo/OAE_0000659

http://purl.obolibrary.org/obo/OAE_0001428

http://purl.obolibrary.org/obo/OAE_0000198

http://purl.obolibrary.org/obo/OAE_0000406

http://purl.obolibrary.org/obo/OAE_0000756

http://purl.obolibrary.org/obo/OAE_0000561

http://purl.obolibrary.org/obo/OAE_0000919

http://purl.obolibrary.org/obo/OAE_0001509

http://purl.obolibrary.org/obo/OAE_0000411

http://purl.obolibrary.org/obo/OAE_0000443

http://purl.obolibrary.org/obo/OAE_0001360

http://purl.obolibrary.org/obo/OAE_0000567

http://purl.obolibrary.org/obo/OAE_0000545

http://purl.obolibrary.org/obo/OAE_0000373

http://purl.obolibrary.org/obo/OAE_0001013

http://purl.obolibrary.org/obo/OAE_0000560

http://purl.obolibrary.org/obo/OAE_0000210

http://purl.obolibrary.org/obo/OAE_0000319

http://purl.obolibrary.org/obo/OAE_0000021

http://purl.obolibrary.org/obo/OAE_0001448

http://purl.obolibrary.org/obo/OAE_0001268

http://purl.obolibrary.org/obo/OAE_0000317

http://purl.obolibrary.org/obo/OAE_0000660

http://purl.obolibrary.org/obo/OAE_0001370

http://purl.obolibrary.org/obo/OAE_0000365

http://purl.obolibrary.org/obo/OAE_0000600

http://purl.obolibrary.org/obo/OAE_0000310

http://purl.obolibrary.org/obo/OAE_0000883

http://purl.obolibrary.org/obo/OAE_0000476

http://purl.obolibrary.org/obo/OAE_0000518

http://purl.obolibrary.org/obo/OAE_0000770

http://purl.obolibrary.org/obo/OAE_0001026

http://purl.obolibrary.org/obo/OAE_0000601

http://purl.obolibrary.org/obo/OAE_0001463

http://purl.obolibrary.org/obo/OAE_0000300

http://purl.obolibrary.org/obo/OAE_0000551

http://purl.obolibrary.org/obo/OAE_0000691

http://purl.obolibrary.org/obo/OAE_0000895

http://purl.obolibrary.org/obo/OAE_0000517

http://purl.obolibrary.org/obo/OAE_0000455

http://purl.obolibrary.org/obo/OAE_0001737

http://purl.obolibrary.org/obo/OAE_0001105

http://purl.obolibrary.org/obo/OAE_0001024

http://purl.obolibrary.org/obo/OAE_0000498

http://purl.obolibrary.org/obo/OAE_0001461

http://purl.obolibrary.org/obo/OAE_0000312

http://purl.obolibrary.org/obo/OAE_0001057

http://purl.obolibrary.org/obo/OAE_0001515

http://purl.obolibrary.org/obo/OAE_0001190

http://purl.obolibrary.org/obo/OAE_0001142

http://purl.obolibrary.org/obo/OAE_0000400

http://purl.obolibrary.org/obo/OAE_0000086

http://purl.obolibrary.org/obo/OAE_0000510

http://purl.obolibrary.org/obo/OAE_0000645

http://purl.obolibrary.org/obo/OAE_0000584

http://purl.obolibrary.org/obo/OAE_0001129

http://purl.obolibrary.org/obo/OAE_0000643

http://purl.obolibrary.org/obo/OAE_0002206

http://purl.obolibrary.org/obo/OAE_0000666

http://purl.obolibrary.org/obo/OAE_0000894

http://purl.obolibrary.org/obo/OAE_0000243

http://purl.obolibrary.org/obo/OAE_0000414

http://purl.obolibrary.org/obo/OAE_0000607

http://purl.obolibrary.org/obo/OAE_0000355

http://purl.obolibrary.org/obo/OAE_0000038

http://purl.obolibrary.org/obo/OAE_0001164

http://purl.obolibrary.org/obo/OAE_0000034

http://purl.obolibrary.org/obo/OAE_0000166

http://purl.obolibrary.org/obo/OAE_0002122

http://purl.obolibrary.org/obo/OAE_0000460

http://purl.obolibrary.org/obo/OAE_0000508

http://purl.obolibrary.org/obo/OAE_0000401

http://purl.obolibrary.org/obo/OAE_0000536

http://purl.obolibrary.org/obo/OAE_0000647

http://purl.obolibrary.org/obo/OAE_0000505

http://purl.obolibrary.org/obo/OAE_0000022

http://purl.obolibrary.org/obo/OAE_0000385

http://purl.obolibrary.org/obo/OAE_0000468

http://purl.obolibrary.org/obo/OAE_0000602

http://purl.obolibrary.org/obo/OAE_0000336

http://purl.obolibrary.org/obo/OAE_0000779

http://purl.obolibrary.org/obo/OAE_0001217

http://purl.obolibrary.org/obo/OAE_0000396

http://purl.obolibrary.org/obo/OAE_0000362

http://purl.obolibrary.org/obo/OAE_0001345

http://purl.obolibrary.org/obo/OAE_0000296

http://purl.obolibrary.org/obo/OAE_0000374

http://purl.obolibrary.org/obo/OAE_0000211

http://purl.obolibrary.org/obo/OAE_0000462

http://purl.obolibrary.org/obo/OAE_0000358

http://purl.obolibrary.org/obo/OAE_0001309

http://purl.obolibrary.org/obo/OAE_0000456

http://purl.obolibrary.org/obo/OAE_0001366

http://purl.obolibrary.org/obo/OAE_0000534

http://purl.obolibrary.org/obo/OAE_0001364

http://purl.obolibrary.org/obo/OAE_0000402
has pharmacological target

http://purl.obolibrary.org/obo/dinto_0994

http://purl.obolibrary.org/obo/dinto_0190
has role

http://purl.obolibrary.org/obo/CHEBI_51451

http://purl.obolibrary.org/obo/CHEBI_35674
InChI

InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
InChIKey

InChIKey=GJPICJJJRGTNOD-UHFFFAOYSA-N
induces

http://purl.obolibrary.org/obo/dinto_2058

http://purl.obolibrary.org/obo/dinto_0901
inhibits

http://purl.obolibrary.org/obo/dinto_3489
is metabolised by

http://purl.obolibrary.org/obo/dinto_2058

http://purl.obolibrary.org/obo/dinto_0901
label

bosentan
may interact with

http://purl.obolibrary.org/obo/CHEBI_32250

http://purl.obolibrary.org/obo/CHEBI_7627

http://purl.obolibrary.org/obo/CHEBI_49960

http://purl.obolibrary.org/obo/CHEBI_6715

http://purl.obolibrary.org/obo/CHEBI_5441

http://purl.obolibrary.org/obo/CHEBI_4031

http://purl.obolibrary.org/obo/CHEBI_9150

http://purl.obolibrary.org/obo/dinto_DB06287

http://purl.obolibrary.org/obo/CHEBI_53766

http://purl.obolibrary.org/obo/CHEBI_40303

http://purl.obolibrary.org/obo/CHEBI_133809

http://purl.obolibrary.org/obo/CHEBI_3558

http://purl.obolibrary.org/obo/dinto_DB01167

http://purl.obolibrary.org/obo/dinto_DB01357

http://purl.obolibrary.org/obo/CHEBI_47657

http://purl.obolibrary.org/obo/CHEBI_9654

http://purl.obolibrary.org/obo/dinto_DB00582

http://purl.obolibrary.org/obo/CHEBI_39548

http://purl.obolibrary.org/obo/CHEBI_10033

http://purl.obolibrary.org/obo/dinto_DB08866

http://purl.obolibrary.org/obo/dinto_DB00977

http://purl.obolibrary.org/obo/CHEBI_4513

http://purl.obolibrary.org/obo/dinto_DB01026

http://purl.obolibrary.org/obo/CHEBI_27999

http://purl.obolibrary.org/obo/CHEBI_70735

http://purl.obolibrary.org/obo/dinto_DB00976
prefixIRI

obo2:CHEBI_51450
prefLabel

bosentan
SMILES

COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
Synonym

4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide

C27H29N5O6S

bosentanum

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide

bosentan

p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide
xref

Wikipedia:http://en.wikipedia.org/wiki/Bosentan

RxList:http://www.rxlist.com/cgi/generic3/tracleer.htm

DrugBank:DB00559

Wikipedia:Bosentan

PharmGKB:PA10034

ChEMBL:193617

CASRN:147536-97-8

ChEBI:51450

ChemSpider:94651

PubChem Compound:104865

PubChem Substance:46507154

Patent:US2986573

National Drug Code Directory:66215-101-06

KEGG DRUG:D07538

Drugs.com:http://www.drugs.com/cdi/bosentan.html

Drugs Product Database (DPD):2244982
subClassOf

http://purl.obolibrary.org/obo/dinto_000055
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http://purl.obolibrary.org/obo/CHEBI_51450 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_51450 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_51450 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_51450 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_51450 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_51450 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_51450 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_51450 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_51450 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/XCO_0000541 XCO LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 CHEBI LOOM
http://stirdf.jst.go.jp/id/200907044973746178 IOBC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0252643 OCHV LOOM
http://www.drugbank.ca/drugs/DB00559 FTC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47417 NCIT LOOM
http://purl.obolibrary.org/obo/NCIT_C47417 BERO LOOM
http://purl.jp/bio/4/id/200906075877860848 IOBC LOOM
http://purl.bioontology.org/ontology/VANDF/4021289 VANDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/385559004 SNOMEDCT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#25183 OCHV LOOM
http://purl.bioontology.org/ontology/ATC/C02KX01 ATC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148726 NDFRT LOOM
http://purl.bioontology.org/ontology/RXNORM/75207 RXNORM LOOM
http://purl.bioontology.org/ontology/NDDF/009514 NDDF LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_51450 NIFSTD LOOM
http://www.phoc.org.cn/pmo/class/PMO_00025602 PMAPP-PMO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C086232 RH-MESH LOOM
http://purl.bioontology.org/ontology/MESH/D000077300 MESH LOOM
https://go.drugbank.com/drugs/DB00559 MDM LOOM
http://bmi.utah.edu/ontologies/hfontology/C0252643 HFO LOOM