loading...| 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 |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_68642 |
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| AHFScode |
10:00 |
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| ATCCode |
L02BX03 |
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| CASRN |
154229-19-3 |
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| DBBrand |
zytiga |
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| DBSalt |
abiraterone acetate |
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| DBSynonym |
cb7630 |
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| 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. |
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| has pharmacological target | ||
| has role | ||
| 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 |
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| InChIKey |
InChIKey=UVIQSJCZCSLXRZ-HMMZIKKISA-N InChIKey=GZOSMCIZMLWJML-VJLLXTKPSA-N |
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| inhibits |
http://purl.obolibrary.org/obo/dinto_1559 http://purl.obolibrary.org/obo/dinto_2993 |
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| is metabolised by | ||
| is substrate of | ||
| label |
abiraterone |
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| may interact with |
http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_37924 http://purl.obolibrary.org/obo/dinto_DB00224 http://purl.obolibrary.org/obo/CHEBI_45304 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/CHEBI_9566 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_63621 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB00514 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/CHEBI_39112 http://purl.obolibrary.org/obo/dinto_DB00503 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077 |
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| prefixIRI |
obo2:CHEBI_68642 |
|
| prefLabel |
abiraterone |
|
| 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 |
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| 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 |
|
| 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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| subClassOf |