The Drug-Drug Interactions Ontology - abiraterone acetate - Classes | NCBO BioPortal

The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	abiraterone acetate
Synonyms	(3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate C26H33NO2 Zytiga 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate
ID	http://purl.obolibrary.org/obo/CHEBI_68639
Definition	A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo to abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer.
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_68640 http://purl.obolibrary.org/obo/CHEBI_50266
InChI	InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
InChIKey	InChIKey=UVIQSJCZCSLXRZ-UBUQANBQSA-N
label	abiraterone acetate
prefixIRI	obo2:CHEBI_68639
prefLabel	abiraterone acetate
SMILES	[H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])c1cccnc1)OC(C)=O
Synonym	(3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate C26H33NO2 Zytiga 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate
xref	CiteXplore:20159824 CiteXplore:22430753 CiteXplore:21804589 CiteXplore:19995526 CiteXplore:20645691 CiteXplore:22291466 CiteXplore:20805462 CiteXplore:21550166 Patent:WO2006021776 CASRN:154229-18-2 CiteXplore:22752297 CiteXplore:21836546 CiteXplore:21632851 CiteXplore:21802835 CiteXplore:21975570 CiteXplore:16809076 Patent:US2008051380 CiteXplore:21243537 Patent:US2011201563 CiteXplore:15150570 CiteXplore:23020788 Patent:WO2012083112 CiteXplore:21731216 CiteXplore:19189435 CiteXplore:22130117 CiteXplore:23023354 KEGG DRUG:D09701 CiteXplore:20050017 CiteXplore:19470933 CiteXplore:21171672 CiteXplore:21743483 CiteXplore:22198164 CiteXplore:22526411 ChEMBL:538435 CiteXplore:18957947 CiteXplore:20465382 CiteXplore:19995520 CiteXplore:21896467 CiteXplore:22995653 CiteXplore:20225998 CiteXplore:21985170 CiteXplore:22149426 CiteXplore:22184395 Reaxys:7314563 CiteXplore:20159823 CiteXplore:18645193 CiteXplore:22123334 CiteXplore:22372727 CiteXplore:20159814
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Delete	Mapping To	Ontology	Source
	http://purl.obolibrary.org/obo/CHEBI_68639	CHEBI	SAME_URI
	http://purl.obolibrary.org/obo/CHEBI_68639	BERO	SAME_URI
	http://purl.obolibrary.org/obo/OMIT_0001470	OMIT	LOOM
	http://purl.jp/bio/4/id/201206032892120480	IOBC	LOOM
	http://purl.bioontology.org/ontology/RXNORM/1100071	RXNORM	LOOM
	http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C68845	NCIT	LOOM
	http://purl.obolibrary.org/obo/CHEBI_68639	CHEBI	LOOM
	http://purl.obolibrary.org/obo/CHEBI_68639	BERO	LOOM
	http://purl.bioontology.org/ontology/MESH/D000069501	MESH	LOOM
	http://purl.bioontology.org/ontology/VANDF/4030721	VANDF	LOOM
	http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#Abiraterone_acetate_drug	PCAO	LOOM
	http://stirdf.jst.go.jp/id/200907002840370685	IOBC	LOOM
	http://www.semanticweb.org/ontologies/2018/1/ProstateCancer.owl#Abiraterone_acetate	PCAO	LOOM
	http://www.phoc.org.cn/pmo/class/PMO_00018518	PMAPP-PMO	LOOM
	http://purl.obolibrary.org/obo/MESH_D000069501	BERO	LOOM
	http://purl.bioontology.org/ontology/SNOMEDCT/699679004	SNOMEDCT	LOOM
	http://purl.obolibrary.org/obo/NCIT_C68845	BERO	LOOM
	http://purl.bioontology.org/ontology/NDFRT/N0000182731	NDFRT	LOOM
	http://purl.bioontology.org/ontology/PDQ/CDR0000552704	PDQ	LOOM