fluticasone

Ligand Id: 6699
Ligand name fluticasone

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 99.9
Molecular weight 444.16
XLogP 2.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1994))
IUPAC Name
S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate
International Nonproprietary Names
INN number INN
5636 fluticasone
Database Links
CAS Registry No. 90566-53-3 (source: SciFinder)
ChEMBL Ligand CHEMBL1201396
DrugBank Ligand DB00588
PubChem CID 5311101
Search Google for chemical match using the InChIKey MGNNYOODZCAHBA-GQKYHHCASA-N
Search Google for chemicals with the same backbone MGNNYOODZCAHBA
Search PubMed clinical trials fluticasone
Search PubMed titles fluticasone
Search PubMed titles/abstracts fluticasone
Wikipedia Fluticasone
Comments
The Drugbank link listed here refers to fluticasone propionate with CAS registry number 80474-14-2. CHEMBL lists fluticasone propionate as a glucocorticoid receptor agonist, but not the fluticasone parent molecule.

In the form fluticasone furoate in combination with vilanterol (Ligand id=7353), fluticasone forms part of the approved drug Breo Ellipta, approved by the FDA in 2013.