ivacaftor

Ligand id: 4342

Name: ivacaftor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 78.43
Molecular weight 392.21
XLogP 6.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA and EMA (2012))
IUPAC Name
N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
International Nonproprietary Names
INN number INN
9263 ivacaftor
Synonyms
Kalydeco®
VX-770
Database Links
CAS Registry No. 873054-44-5
ChEBI CHEBI:66901
ChEMBL Ligand CHEMBL2010601
DrugBank Ligand DB08820
PubChem CID 16220172
Search Google for chemical match using the InChIKey PURKAOJPTOLRMP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PURKAOJPTOLRMP
Search PubMed clinical trials ivacaftor
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Wikipedia Ivacaftor
Comments
Ivacaftor is a cystic fibrosis transmembrane conductance regulator (CFTR) potentiator, the net effect of which is increased chloride channel opening.