The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Preferred Name	bexarotene
Synonyms	p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid bexarotene bexarotenum C24H28O2 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid bexaroteno
ID	http://purl.obolibrary.org/obo/CHEBI_50859
activates	http://purl.obolibrary.org/obo/dinto_0736 http://purl.obolibrary.org/obo/dinto_1077 http://purl.obolibrary.org/obo/dinto_3482
ATCCode	L01XX25
binds	http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_0736 http://purl.obolibrary.org/obo/dinto_1077 http://purl.obolibrary.org/obo/dinto_3482 http://purl.obolibrary.org/obo/dinto_2058
CASRN	153559-49-0
DBBrand	targretin targrexin targret targretyn targretin-gel
DBname	bexarotene
Definition	A retinoid that has formula C24H28O2.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000604 http://purl.obolibrary.org/obo/OAE_0000557 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000902 http://purl.obolibrary.org/obo/OAE_0001273 http://purl.obolibrary.org/obo/OAE_0000617 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000650 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000195 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0001013 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0001595 http://purl.obolibrary.org/obo/OAE_0000805 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000250 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_0000920 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0001063 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000691 http://purl.obolibrary.org/obo/OAE_0000687 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0000943 http://purl.obolibrary.org/obo/OAE_0000419 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 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_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000542 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000473 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000789 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0000866 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0001429 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000405 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_0001152 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0001147 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0001052 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_0000374 http://purl.obolibrary.org/obo/OAE_0001166 http://purl.obolibrary.org/obo/OAE_0000346 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0000211 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000716 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0000488 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298 http://purl.obolibrary.org/obo/OAE_0000350 http://purl.obolibrary.org/obo/OAE_0000304
has pharmacological target	http://purl.obolibrary.org/obo/dinto_0736 http://purl.obolibrary.org/obo/dinto_1077 http://purl.obolibrary.org/obo/dinto_3482
has role	http://purl.obolibrary.org/obo/CHEBI_35610
InChI	InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
InChIKey	InChIKey=NAVMQTYZDKMPEU-UHFFFAOYSA-N
induces	http://purl.obolibrary.org/obo/dinto_0901
is metabolised by	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0901
is substrate of	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_0901
label	bexarotene
may interact with	http://purl.obolibrary.org/obo/CHEBI_7627 http://purl.obolibrary.org/obo/CHEBI_5296 http://purl.obolibrary.org/obo/CHEBI_6715 http://purl.obolibrary.org/obo/CHEBI_149836 http://purl.obolibrary.org/obo/CHEBI_50838 http://purl.obolibrary.org/obo/CHEBI_50845 http://purl.obolibrary.org/obo/CHEBI_681850 http://purl.obolibrary.org/obo/dinto_DB00162 http://purl.obolibrary.org/obo/CHEBI_31580 http://purl.obolibrary.org/obo/dinto_DB06713 http://purl.obolibrary.org/obo/CHEBI_50815 http://purl.obolibrary.org/obo/CHEBI_27902 http://purl.obolibrary.org/obo/CHEBI_50777 http://purl.obolibrary.org/obo/CHEBI_6443 http://purl.obolibrary.org/obo/CHEBI_4453 http://purl.obolibrary.org/obo/CHEBI_50694 http://purl.obolibrary.org/obo/CHEBI_4392
modulates	http://purl.obolibrary.org/obo/dinto_0736 http://purl.obolibrary.org/obo/dinto_1077 http://purl.obolibrary.org/obo/dinto_3482
prefixIRI	obo2:CHEBI_50859
prefLabel	bexarotene
SMILES	Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C
Synonym	p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid bexarotene bexarotenum C24H28O2 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid bexaroteno
xref	RxList:http://www.rxlist.com/cgi/generic3/bexarotene.htm PubChem Compound:82146 PubChem Substance:46509119 ChEBI:50859 Wikipedia:http://en.wikipedia.org/wiki/Bexarotene Patent:WO9321146 KEGG DRUG:D03106 CASRN:153559-49-0 PharmGKB:PA164752250 Patent:US5466861 IUPHAR:2807 Wikipedia:Bexarotene National Drug Code Directory:64365-502-01 ChemSpider:74139 DrugBank:DB00307 Guide To Pharmacology:2807 Drugs.com:http://www.drugs.com/cdi/bexarotene.html ChEMBL:219498
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_50859	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	HOIP	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	TXPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50859	CHEBI	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#48632	OCHV	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148643	ODAE	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0765273	OCHV	LOOM
http://purl.bioontology.org/ontology/VANDF/4021197	VANDF	LOOM
http://purl.obolibrary.org/obo/CHEBI_50859	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_50859	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_50859	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_50859	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_50859	DDSS	LOOM
http://purl.obolibrary.org/obo/CHEBI_50859	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_50859	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_50859	NIFSTD	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026196	PMAPP-PMO	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1635	NCIT	LOOM
http://purl.obolibrary.org/obo/DRON_00013784	ODNAE	LOOM
http://purl.obolibrary.org/obo/NCIT_C1635	BERO	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148643	NDFRT	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387023000	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/RXNORM/233272	RXNORM	LOOM
http://doe-generated-ontology.com/OntoAD#C0765273	ONTOAD	LOOM
http://www.drugbank.ca/drugs/DB00307	FTC	LOOM
http://purl.bioontology.org/ontology/ATC/L01XF03	ATC	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000042117	PDQ	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C095105	RH-MESH	LOOM
https://go.drugbank.com/drugs/DB00307	MDM	LOOM
http://purl.bioontology.org/ontology/NDDF/008004	NDDF	LOOM
http://purl.bioontology.org/ontology/MESH/D000077610	MESH	LOOM