The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/CHEBI_66901
http://purl.obolibrary.org/obo/CHEBI_66901
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
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
ivacaftor
label
ivacaftor
DBSynonym
vx-770
ATCCode
R07AX02
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.
has pharmacological target
inhibits
type
has role
InChIKey
InChIKey=PURKAOJPTOLRMP-UHFFFAOYSA-N
is metabolised by
AHFScode
48:92
Synonym
C24H28N2O3
N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
ivacaftor
Kalydeco
VX-770
ivacaftorum
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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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CASRN
873054-44-5
prefixIRI
obo2:CHEBI_66901
is substrate of
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
may interact with
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)
DBBrand
kalydeco
subClassOf
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