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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_63621
http://purl.obolibrary.org/obo/CHEBI_63621
|
|---|---|
| Preferred Name | saquinavir |
| Synonyms |
C38H50N6O5
saquinavir
N(1)-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N(2)-(quinolin-2-ylcarbonyl)-L-aspartamide
Fortovase
(2S)-N-[(2S,3R)-4-[(3S)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | saquinavir
|
|---|---|
| label | saquinavir
|
| DBSynonym |
sqv
saquinavir mesylate
|
| ATCCode | J05AE01
|
| Definition | An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.
|
| altId | CHEBI:9028
|
| has effect |
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| has pharmacological target | |
| induces | |
| inhibits |
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| type | |
| has role | |
| InChIKey |
InChIKey=QWAXKHKRTORLEM-UGJKXSETSA-N
InChIKey=QWAXKHKRTORLEM-LINFGICFSA-N
|
| is metabolised by | |
| AHFScode | 08:18.08.08
|
| Synonym | C38H50N6O5
saquinavir
N(1)-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N(2)-(quinolin-2-ylcarbonyl)-L-aspartamide
Fortovase
(2S)-N-[(2S,3R)-4-[(3S)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide
|
| xref |
CiteXplore:21683096
Patent:EP432695
KEGG DRUG:D00429
Reaxys:5469491
Wikipedia:http://en.wikipedia.org/wiki/Saquinavir
BindingDB:50114967
CiteXplore:21135186
ChemSpider:54783
PubChem Substance:46508726
Drugs.com:http://www.drugs.com/cdi/saquinavir.html
Patent:US5196438
PharmGKB:PA451305
CiteXplore:21819804
CiteXplore:22024400
CASRN:127779-20-8
DrugBank:DB01232
CiteXplore:21819645
Drugs Product Database (DPD):2239083
PubChem Compound:60787
CiteXplore:22150669
Wikipedia:Saquinavir
CiteXplore:22136805
RxList:http://www.rxlist.com/cgi/generic/saquin.htm
CiteXplore:21600016
CiteXplore:22159894
CiteXplore:22104402
National Drug Code Directory:0004-0246-48
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| CASRN | 127779-20-8
|
| prefixIRI | obo2:CHEBI_63621
|
| is transported by | |
| related with | |
| SMILES | CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1
[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C
|
| DBname | saquinavir
|
| InChI | InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26?,27?,30-,31-,32-,33+/m0/s1
InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
|
| DBBrand |
fortovase
roc
invirase
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
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