The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Preferred Name	raloxifene
Synonyms	Raloxifene [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone C28H27NO4S raloxifene LY 139481 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone raloxifeno raloxifenum
ID	http://purl.obolibrary.org/obo/CHEBI_8772
activates	http://purl.obolibrary.org/obo/dinto_2830 http://purl.obolibrary.org/obo/dinto_2827
AHFScode	68:16.12
ATCCode	G03XC01
binds	http://purl.obolibrary.org/obo/dinto_3102 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_0273 http://purl.obolibrary.org/obo/dinto_0465 http://purl.obolibrary.org/obo/dinto_2830 http://purl.obolibrary.org/obo/dinto_2827
CASRN	84449-90-1
DBBrand	evista keoxifene
DBname	raloxifene
DBSynonym	raloxifene hydrochloride raloxifene hcl raloxifeno [spanish] ral raloxifenum [latin] ly-139481
Definition	A benzothiophene that has formula C28H27NO4S.
has effect	http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001505 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000479 http://purl.obolibrary.org/obo/OAE_0001744 http://purl.obolibrary.org/obo/OAE_0000596 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000050 http://purl.obolibrary.org/obo/OAE_0000861 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000711 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0001340 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0000502 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000514 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0001263 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0000350
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2830 http://purl.obolibrary.org/obo/dinto_2827
has role	http://purl.obolibrary.org/obo/CHEBI_50739 http://purl.obolibrary.org/obo/CHEBI_50646 http://purl.obolibrary.org/obo/CHEBI_50837
InChI	InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
InChIKey	InChIKey=GZUITABIAKMVPG-UHFFFAOYSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_3102 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_0273 http://purl.obolibrary.org/obo/dinto_0465
is metabolised by	http://purl.obolibrary.org/obo/dinto_0901
is substrate of	http://purl.obolibrary.org/obo/dinto_0901
label	raloxifene
may interact with	http://purl.obolibrary.org/obo/CHEBI_18332 http://purl.obolibrary.org/obo/CHEBI_3641 http://purl.obolibrary.org/obo/dinto_DB04573 http://purl.obolibrary.org/obo/dinto_DB04574 http://purl.obolibrary.org/obo/CHEBI_3752 http://purl.obolibrary.org/obo/dinto_DB01357 http://purl.obolibrary.org/obo/CHEBI_59594 http://purl.obolibrary.org/obo/CHEBI_41922 http://purl.obolibrary.org/obo/dinto_DB00783 http://purl.obolibrary.org/obo/dinto_DB00286 http://purl.obolibrary.org/obo/dinto_DB00977 http://purl.obolibrary.org/obo/CHEBI_59602 http://purl.obolibrary.org/obo/dinto_DB01432
modulates	http://purl.obolibrary.org/obo/dinto_2830 http://purl.obolibrary.org/obo/dinto_2827
prefixIRI	obo2:CHEBI_8772
prefLabel	raloxifene
SMILES	OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Synonym	Raloxifene [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone C28H27NO4S raloxifene LY 139481 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol (2-(4-Hydroxyphenyl)-6-hydroxybenzo(b)thien-3-yl)(4-(2-(1-piperidinyl)ethoxy)phenyl)methanone raloxifeno raloxifenum
xref	Patent:US4418068 PharmGKB:PA451221 PDB:RAL DrugBank:DB00481 CASRN:84449-90-1 Beilstein:4890356 ChemSpider:4859 KEGG COMPOUND:C07228 National Drug Code Directory:0002-4165-02 BindingDB:19441 IUPHAR:2820 RxList:http://www.rxlist.com/cgi/generic/raloxif.htm PubChem Compound:5035 ChEBI:8772 Patent:EP62503 Drugs Product Database (DPD):2239028 PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/evi1169.shtml Drugs.com:http://www.drugs.com/cdi/raloxifene.html Guide To Pharmacology:2820 Wikipedia:http://en.wikipedia.org/wiki/Raloxifene PubChem Substance:46506514
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_8772	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	CCONT	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8772	DRON	LOOM
https://go.drugbank.com/drugs/DB00481	MDM	LOOM
http://purl.bioontology.org/ontology/ATC/G03XC01	ATC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0244404	OCHV	LOOM
http://stirdf.jst.go.jp/id/200907039651233937	IOBC	LOOM
http://www.drugbank.ca/drugs/DB00481	FTC	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1518	NCIT	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	CCONT	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	DDSS	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	NIFSTD	LOOM
http://purl.obolibrary.org/obo/CHEBI_8772	EFO	LOOM
http://purl.bioontology.org/ontology/CSP/5001-0008	CRISP	LOOM
http://purl.bioontology.org/ontology/RXNORM/72143	RXNORM	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D020849	RH-MESH	LOOM
http://purl.jp/bio/4/id/200906030196047290	IOBC	LOOM
http://purl.bioontology.org/ontology/LNC/LP171633-3	LOINC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#25116	OCHV	LOOM
http://www.co-ode.org/ontologies/galen#Raloxifene	GALEN	LOOM
http://purl.obolibrary.org/obo/NCIT_C1518	BERO	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/109029006	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000022103	NDFRT	LOOM
http://purl.bioontology.org/ontology/VANDF/4024098	VANDF	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.455.426.559.389.150.700.900.775	RH-MESH	LOOM