loading...| Preferred Name |
ivacaftor |
|
| Synonyms |
C24H28N2O3 N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide ivacaftor Kalydeco VX-770 ivacaftorum |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_66901 |
|
| AHFScode |
48:92 |
|
| ATCCode |
R07AX02 |
|
| binds |
http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_0341 |
|
| CASRN |
873054-44-5 |
|
| DBBrand |
kalydeco |
|
| DBSynonym |
vx-770 |
|
| Definition |
A carboxamide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis. Ivacaftor (also known as Kalydeco or VX-770) is a drug for the treatment of cystic fibrosis, developed by Vertex Pharmaceuticals and the Cystic Fibrosis Foundation. FDA approved on January 31, 2012. |
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| has pharmacological target | ||
| has role | ||
| InChI |
InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) |
|
| InChIKey |
InChIKey=PURKAOJPTOLRMP-UHFFFAOYSA-N |
|
| inhibits | ||
| is metabolised by | ||
| is substrate of |
http://purl.obolibrary.org/obo/dinto_3582 |
|
| label |
ivacaftor |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_71219 http://purl.obolibrary.org/obo/CHEBI_66903 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/dinto_DB00196 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_64355 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077 |
|
| prefixIRI |
obo2:CHEBI_66901 |
|
| prefLabel |
ivacaftor |
|
| related with | ||
| SMILES |
CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C |
|
| Synonym |
C24H28N2O3 N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide ivacaftor Kalydeco VX-770 ivacaftorum |
|
| xref |
ChEMBL:1431852 Wikipedia:http://en.wikipedia.org/wiki/Ivacaftor CiteXplore:22499233 Drugs.com:http://www.drugs.com/kalydeco.html KEGG DRUG:D09916 ChEBI:66901 Reaxys:11821038 CiteXplore:22383668 Wikipedia:Ivacaftor CiteXplore:22508750 CiteXplore:22739718 CiteXplore:22047557 National Drug Code Directory:51167-200-01 CiteXplore:22293084 RxList:http://www.rxlist.com/kalydeco-drug.htm CiteXplore:22543461 CASRN:873054-44-5 CiteXplore:22698459 CiteXplore:22768130 CiteXplore:22618984 CiteXplore:22723294 |
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| subClassOf |