GALICAFTOR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: J0IIT8QSQS

Structure
InChI Key QVDYQHXNAQHIKH-TZIWHRDSSA-N
Smile 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

Action Mechanism of Action Reference
POSITIVE MODULATOR Cystic fibrosis transmembrane conductance regulator positive modulator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Chloride channel Cystic fibrosis transmembrane conductance regulator
5-5 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

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