lumacaftor

Ligand id: 7481

Name: lumacaftor

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 97.75
Molecular weight 452.12
XLogP 5.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2015))
IUPAC Name
3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
International Nonproprietary Names
INN number INN
9449 lumacaftor
Synonyms
VRT-826809 | VX-809
Database Links
CAS Registry No. 936727-05-8
ChEMBL Ligand CHEMBL2103870
GtoPdb PubChem SID 187051784
PubChem CID 16678941
Search Google for chemical match using the InChIKey UFSKUSARDNFIRC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UFSKUSARDNFIRC
Search PubMed clinical trials lumacaftor
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Search UniChem for chemical match using the InChIKey UFSKUSARDNFIRC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UFSKUSARDNFIRC
Wikipedia Lumacaftor
Comments
Lumacaftor is termed a cystic fibrosis transmembrane conductance regulator (CFTR) corrector, acting to reduce mis-folding of the defective F508del mutant CFTR protein, in comparison to ivacaftor which is termed a CFTR potentiator drug. The F508del mutation is the most common cause of cystic fibrosis and accounts for approximately 60% of CF patients in Europe.