FLUTICASONE FUROATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2007)
Entry Type: Small molecule
Molecule Category: Salt
ATC: R01AD12
UNII: JS86977WNV
Parent Compound: FLUTICASONE

Structure
InChI Key XTULMSXFIHGYFS-VLSRWLAYSA-N
Smile C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H29F3O6S
Molecular Weight 538.58
AlogP 4.93
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 93.81
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
0-1 0-1 - 1 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
- 166 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 21 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 1880 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 4 D029424 ClinicalTrials
Rhinitis, Allergic, Seasonal 4 D006255 ClinicalTrials
Rhinitis 3 D012220 ClinicalTrials
Rhinitis, Vasomotor 3 D012223 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
19.91
Injury, poisoning and procedural complications
16.71
General disorders and administration site conditions
12.33
Nervous system disorders
7.44
Gastrointestinal disorders
5.79
Infections and infestations
5.13
Cardiac disorders
5.04
Product issues
4.21
Psychiatric disorders
4.04
Vascular disorders
3.51
Skin and subcutaneous tissue disorders
3.24
Immune system disorders
2.74
Eye disorders
2.14

Cross References

Resources Reference
CAS NUMBER 397864-44-7
ChEBI 74899
ChEMBL CHEMBL1676
DrugBank DB08906
DrugCentral 4554
EPA CompTox DTXSID60228586
FDA SRS JS86977WNV
Guide to Pharmacology 10892
PDB GW6
PubChem 9854489
SureChEMBL SCHEMBL140504
ZINC ZINC000003992105
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