fluticasone furoate   Click here for help

GtoPdb Ligand ID: 10892

Synonyms: Arnuity Ellipta | Avamys | FF | Flonase Sensimist | Veramyst
Approved drug PDB Ligand Immunopharmacology Ligand
fluticasone furoate is an approved drug (FDA (2007))
Compound class: Synthetic organic
Comment: A synthetic glucocorticoid (glucocorticoid receptor agonist) available as an inhaler and nasal spray for various inflammatory indications.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 119.11
Molecular weight 538.16
XLogP 3.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F
Isomeric SMILES FCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F
InChI InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1
InChI Key XTULMSXFIHGYFS-VLSRWLAYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2007))
IUPAC Name Click here for help
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
International Nonproprietary Names Click here for help
INN number INN
8521 fluticasone furoate
Synonyms Click here for help
Arnuity Ellipta | Avamys | FF | Flonase Sensimist | Veramyst
Database Links Click here for help
CAS Registry No. 397864-44-7
ChEMBL Ligand CHEMBL1676
DrugBank Ligand DB08906
DrugCentral Ligand 4554, 4554
GtoPdb PubChem SID 405560333
PubChem CID 9854489
RCSB PDB Ligand GW6
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