GALICAFTOR

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Synonyms
Status
Molecule Category Free-form
UNII J0IIT8QSQS

Structure

InChI Key QVDYQHXNAQHIKH-TZIWHRDSSA-N
Smiles O=C(O)c1ccc([C@H]2C[C@@H](NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c3ccc(OC(F)F)cc3O2)cc1
InChI
InChI=1S/C28H21F4NO7/c29-26(30)37-17-6-7-18-19(13-21(38-22(18)12-17)14-1-3-15(4-2-14)24(34)35)33-25(36)27(9-10-27)16-5-8-20-23(11-16)40-28(31,32)39-20/h1-8,11-12,19,21,26H,9-10,13H2,(H,33,36)(H,34,35)/t19-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H21F4NO7
Molecular Weight 559.47
AlogP 5.72
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 103.32
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Cystic fibrosis transmembrane conductance regulator positive modulator POSITIVE MODULATOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
5 - - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL4101487
DrugBank DB14894
FDA SRS J0IIT8QSQS
PubChem 121301049
SureChEMBL SCHEMBL17708714
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