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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_68642
http://purl.obolibrary.org/obo/CHEBI_68642
|
|---|---|
| Preferred Name | abiraterone |
| Synonyms |
(3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol
(2R,5S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-yl acetate
C26H33NO2
abiraterone
17-(3-Pyridyl)androsta-5,16-dien-3beta-ol
17-(pyridin-3-yl)androsta-5,16-dien-3beta-ol
C24H31NO
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | abiraterone
|
|---|---|
| label | abiraterone
|
| DBSynonym | cb7630
|
| ATCCode | L02BX03
|
| Definition | Abiraterone is a derivative of steroidal progesterone and is an innovative drug that offers clinical benefit to patients with hormone refractory prostate cancer. Abiraterone is administered as an acetate salt prodrug because it has a higher bioavailability and less susceptible to hydrolysis than abiraterone itself. FDA approved on April 28, 2011.
A 3beta-sterol that is androsta-5,16-dien-3beta-ol substituted at position 17 by a 3-pyridyl group. Administered as the O-acetate, it is used for treatment of metastatic castrate-resistant prostate cancer.
|
| DBSalt | abiraterone acetate
|
| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey |
InChIKey=UVIQSJCZCSLXRZ-HMMZIKKISA-N
InChIKey=GZOSMCIZMLWJML-VJLLXTKPSA-N
|
| is metabolised by | |
| AHFScode | 10:00
|
| Synonym | (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol
(2R,5S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-yl acetate
C26H33NO2
abiraterone
17-(3-Pyridyl)androsta-5,16-dien-3beta-ol
17-(pyridin-3-yl)androsta-5,16-dien-3beta-ol
C24H31NO
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|
| xref |
CiteXplore:21807635
CiteXplore:21743442
CiteXplore:22170708
CiteXplore:21729712
CiteXplore:22753664
CiteXplore:21093995
CiteXplore:21612468
Drugs.com:http://www.drugs.com/mtm/abiraterone.html
CiteXplore:22266943
PubChem Compound:132970
CiteXplore:22002259
CiteXplore:22451619
RxList:http://www.rxlist.com/zytiga-drug.htm
Wikipedia:Abiraterone
CiteXplore:21878199
Patent:US2011034428
Patent:US5604213
CiteXplore:21864180
ChEBI:68639
CiteXplore:22611169
Patent:WO2012083112
CiteXplore:22763809
ChEMBL:522175
Patent:EP1336602
CiteXplore:21326154
CiteXplore:21242338
CiteXplore:21808270
CiteXplore:22373884
Wikipedia:http://en.wikipedia.org/wiki/Abiraterone
Reaxys:7309269
CiteXplore:22822591
CiteXplore:21857690
PDBeChem:AER
CiteXplore:21239011
CiteXplore:22402426
CiteXplore:23024987
CiteXplore:22500680
CiteXplore:22411952
CiteXplore:21864182
CiteXplore:21864181
National Drug Code Directory:57894-150-12
CiteXplore:22331349
CiteXplore:22915660
CASRN:154229-19-3
ChemSpider:117348
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|
| CASRN | 154229-19-3
|
| prefixIRI | obo2:CHEBI_68642
|
| is substrate of | |
| SMILES |
[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])c1cccnc1
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C4=CN=CC=C4)C3CC=C2C1
|
| may interact with |
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|
| 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
InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
|
| DBBrand | zytiga
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
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| No notes to display |