CHEBI:66901 - ivacaftor

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ChEBI Name ivacaftor
Definition An aromatic amide 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H28N2O3
Net Charge 0
Average Mass 392.49070
Monoisotopic Mass 392.20999
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)
SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C
Roles Classification
Biological Role(s): CFTR potentiator
A membrane transport modulator that restores the chloride ion transport ability of defective cystic fibrosis transmembrane conductance regulator (CFTR) genes.
Application(s): orphan drug
Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease.
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ChEBI Ontology
Outgoing ivacaftor (CHEBI:66901) has role CFTR potentiator (CHEBI:66902)
ivacaftor (CHEBI:66901) has role orphan drug (CHEBI:71031)
ivacaftor (CHEBI:66901) is a aromatic amide (CHEBI:62733)
ivacaftor (CHEBI:66901) is a monocarboxylic acid amide (CHEBI:29347)
ivacaftor (CHEBI:66901) is a phenols (CHEBI:33853)
ivacaftor (CHEBI:66901) is a quinolone (CHEBI:23765)
Incoming Orkambi (CHEBI:90950) has part ivacaftor (CHEBI:66901)
INNs Sources
ivacaftor KEGG DRUG
ivacaftor WHO MedNet
ivacaftor WHO MedNet
ivacaftorum WHO MedNet
Synonym Source
VX-770 ChemIDplus
Brand Name Source
Kalydeco KEGG DRUG
Manual Xrefs Databases
4228 DrugCentral
Ivacaftor Wikipedia
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Registry Numbers Types Sources
11821038 Reaxys Registry Number Reaxys
873054-44-5 CAS Registry Number KEGG DRUG
873054-44-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22047557 PubMed citation Europe PMC
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Last Modified
22 February 2017