The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	bicalutamide
Synonyms	Casodex C18H14F4N2O4S bicalutamidum bicalutamide N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide bicalutamida
ID	http://purl.obolibrary.org/obo/CHEBI_3090
AHFScode	10:00.00
ATCCode	L02BB03
blocks	http://purl.obolibrary.org/obo/dinto_2839
CASRN	90357-06-5
DBBrand	casodex
Definition	Bicalutamide is an oral non-steroidal anti-androgen for prostate cancer. It binds to the androgen receptor. A carboxamide that has formula C18H14F4N2O4S.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000424 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000597 http://purl.obolibrary.org/obo/OAE_0000236 http://purl.obolibrary.org/obo/OAE_0000604 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_0000659 http://purl.obolibrary.org/obo/OAE_0000198 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_0000411 http://purl.obolibrary.org/obo/OAE_0000921 http://purl.obolibrary.org/obo/OAE_0001489 http://purl.obolibrary.org/obo/OAE_0000611 http://purl.obolibrary.org/obo/OAE_0001449 http://purl.obolibrary.org/obo/OAE_0001360 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000545 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000412 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0001095 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0001280 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000050 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0000920 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000518 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0001042 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0001463 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0000691 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0000802 http://purl.obolibrary.org/obo/OAE_0000498 http://purl.obolibrary.org/obo/OAE_0000943 http://purl.obolibrary.org/obo/OAE_0000767 http://purl.obolibrary.org/obo/OAE_0001057 http://purl.obolibrary.org/obo/OAE_0000434 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0001341 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000469 http://purl.obolibrary.org/obo/OAE_0000789 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0001145 http://purl.obolibrary.org/obo/OAE_0001104 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000780 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_0000468 http://purl.obolibrary.org/obo/OAE_0000602 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_0001001 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0001166 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_0001309 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0000534 http://purl.obolibrary.org/obo/OAE_0001044 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298 http://purl.obolibrary.org/obo/OAE_0000350
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2839
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_35497
InChI	InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1 InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
InChIKey	InChIKey=LKJPYSCBVHEWIU-UHFFFAOYSA-N InChIKey=LKJPYSCBVHEWIU-KRWDZBQOSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901
is metabolised by	http://purl.obolibrary.org/obo/dinto_0901
label	bicalutamide
may interact with	http://purl.obolibrary.org/obo/CHEBI_68478 http://purl.obolibrary.org/obo/dinto_DB00243 http://purl.obolibrary.org/obo/CHEBI_31547 http://purl.obolibrary.org/obo/CHEBI_3207 http://purl.obolibrary.org/obo/dinto_DB01394 http://purl.obolibrary.org/obo/dinto_DB06212 http://purl.obolibrary.org/obo/dinto_DB01218 http://purl.obolibrary.org/obo/CHEBI_119915 http://purl.obolibrary.org/obo/CHEBI_70735
prefixIRI	obo2:CHEBI_3090
prefLabel	bicalutamide
SMILES	CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Synonym	Casodex C18H14F4N2O4S bicalutamidum bicalutamide N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorobenzene)sulfonyl]-2-hydroxy-2-methylpropanamide (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide bicalutamida
xref	KEGG DRUG:D00961 ChEBI:100717 Beilstein:5364666 PubChem Substance:46505386 IUPHAR:2863 CASRN:90357-06-5 Guide To Pharmacology:2863 DrugBank:DB01128 Wikipedia:http://en.wikipedia.org/wiki/Bicalutamide Drugs.com:http://www.drugs.com/cdi/bicalutamide.html ChEMBL:202911 Patent:US4636505 Wikipedia:Bicalutamide KEGG COMPOUND:C08160 PharmGKB:PA164746255 National Drug Code Directory:0378-7017-93 ChemSpider:50614 PubChem Compound:2375 Patent:EP100172 BindingDB:18678 Drugs Product Database (DPD):2184478 RxList:http://www.rxlist.com/cgi/generic3/bicalutamide.htm
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_3090	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	HOIP	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	TXPO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	GSSO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	ODNAE	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3090	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	CHEBI	LOOM
http://purl.jp/bio/4/id/200906025800552876	IOBC	LOOM
https://go.drugbank.com/drugs/DB01128	MDM	LOOM
http://purl.bioontology.org/ontology/NDDF/005064	NDDF	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026179	PMAPP-PMO	LOOM
http://www.co-ode.org/ontologies/galen#Bicalutamide	GALEN	LOOM
http://stirdf.jst.go.jp/id/200907013243499679	IOBC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148428	NDFRT	LOOM
http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#Bicalutamide	PCAO	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1599	NCIT	LOOM
http://purl.bioontology.org/ontology/VANDF/4020950	VANDF	LOOM
http://www.drugbank.ca/drugs/DB01128	FTC	LOOM
http://purl.obolibrary.org/obo/NCIT_C1599	BERO	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148428	ODAE	LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000041298	PDQ	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#27722	OCHV	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0285590	OCHV	LOOM
http://purl.bioontology.org/ontology/MESH/C053541	MESH	LOOM
http://purl.bioontology.org/ontology/ATC/L02BB03	ATC	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	GSSO	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	NIFSTD	LOOM
http://purl.obolibrary.org/obo/CHEBI_3090	ODNAE	LOOM
http://purl.bioontology.org/ontology/RXNORM/83008	RXNORM	LOOM
http://purl.bioontology.org/ontology/RCD/heA..	RCD	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C053541	RH-MESH	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386908000	SNOMEDCT	LOOM