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The Drug-Drug Interactions Ontology
| Preferred Name | boceprevir | |
| Synonyms |
Victrelis C27H45N5O5 boceprevir (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide SCH 503034 |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_68621 |
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| AHFScode |
8:18.40
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| ATCCode |
J05AE12
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| binds |
http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_0901 |
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| CASRN |
394730-60-0
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| DBBrand |
victrelis
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| Definition |
A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection. Boceprevir is a direct acting protease inhibitor for the treatment of hepatitis C. It also has two isomers in which the S isomer is more active than the R-isomer. FDA approved on May 13, 2011.
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| has pharmacological target | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_63175 |
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| InChI |
InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
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| InChIKey |
InChIKey=LHHCSNFAOIFYRV-DOVBMPENSA-N
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| inhibits |
http://purl.obolibrary.org/obo/dinto_2990 |
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| is metabolised by | ||
| is substrate of |
http://purl.obolibrary.org/obo/dinto_2990 |
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| is transported by | ||
| label |
boceprevir
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|
| may interact with |
http://purl.obolibrary.org/obo/dinto_DB00683 http://purl.obolibrary.org/obo/CHEBI_8212 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_71940 http://purl.obolibrary.org/obo/CHEBI_61049 http://purl.obolibrary.org/obo/CHEBI_50838 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/CHEBI_681850 http://purl.obolibrary.org/obo/dinto_DB08901 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_51141 http://purl.obolibrary.org/obo/CHEBI_3720 http://purl.obolibrary.org/obo/CHEBI_39548 http://purl.obolibrary.org/obo/CHEBI_9168 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/CHEBI_8361 http://purl.obolibrary.org/obo/CHEBI_28077 |
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| prefixIRI |
obo2:CHEBI_68621
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|
| prefLabel |
boceprevir
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|
| SMILES |
[H][C@]12CN([C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C
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| Synonym |
Victrelis C27H45N5O5 boceprevir (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide SCH 503034
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| xref |
Patent:US2005249702 CiteXplore:22239501 CiteXplore:22392426 Patent:US2006281688 CiteXplore:22537438 KEGG DRUG:D08876 CiteXplore:22383557 CiteXplore:20945949 Patent:WO2008076316 Patent:WO2008079216 Patent:US2007287664 Patent:WO2006130688 CiteXplore:23016967 Patent:US2007021351 CiteXplore:22095516 CASRN:394730-60-0 CiteXplore:22349607 Wikipedia:Boceprevir CiteXplore:22799589 Patent:WO2008073282 Patent:US2007149459 CiteXplore:21828346 Wikipedia:http://en.wikipedia.org/wiki/Boceprevir CiteXplore:21123164 Patent:WO2007092616 Patent:WO2010117936 CiteXplore:22576324 Patent:US2006275366 RxList:http://www.rxlist.com/victrelis-drug.htm Patent:US2006276407 Patent:US2006276406 Patent:WO2006130553 CiteXplore:22397560 ChEMBL:460720 PDBeChem:HU5 CiteXplore:22770811 Patent:US2007010431 Reaxys:10502086 CiteXplore:22515132 CiteXplore:20004570 Drugs.com:http://www.drugs.com/cdi/boceprevir.html CiteXplore:19456105 CiteXplore:22975763 CiteXplore:23001704 CiteXplore:22222799 CiteXplore:22570678 Patent:US2006276404 CiteXplore:22169996 CiteXplore:18201776 CiteXplore:22404758 Patent:US2006281689 CiteXplore:22506260 ChEBI:68621 National Drug Code Directory:0085-0314-02
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