LUMACAFTOR

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Synonyms
Status
Molecule Category Free-form
UNII EGP8L81APK
EPA CompTox DTXSID30239523

Structure

InChI Key UFSKUSARDNFIRC-UHFFFAOYSA-N
Smiles Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1
InChI
InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H18F2N2O5
Molecular Weight 452.41
AlogP 4.75
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 97.75
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Cystic fibrosis transmembrane conductance regulator stabiliser STABILISER FDA

Target Conservation

Protein: Cystic fibrosis transmembrane conductance regulator
Description: Cystic fibrosis transmembrane conductance regulator
Organism : Homo sapiens
P13569 ENSG00000001626

Cross References

Resources Reference
ChEBI 90951
ChEMBL CHEMBL2103870
DrugBank DB09280
DrugCentral 5010
FDA SRS EGP8L81APK
Guide to Pharmacology 7481
PharmGKB PA166114483
PubChem 16678941
SureChEMBL SCHEMBL377028
ZINC ZINC000064033452
CONTENTS