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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1676
CHEMBL1676
Compound Name FLUTICASONE FUROATE
ChEMBL Synonyms FLUTICASONE FUROATE | FLONASE SENSIMIST ALLERGY RELIEF | FLUTICASONE FUORATE | AVAMYS | ARNUITY ELLIPTA | VERAMYST | GW685698X
Max Phase 4 (Approved)
Trade Names FLONASE SENSIMIST ALLERGY RELIEF | AVAMYS | ARNUITY ELLIPTA | VERAMYST
Molecular Formula C27H29F3O6S

Additional synonyms for CHEMBL1676 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F) ...
Download SMILES
Standard InChI InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7- ...
Download InChI
Standard InChI Key XTULMSXFIHGYFS-VLSRWLAYSA-N

Sources

  • British National Formulary
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1676

Molecule Features

CHEMBL1676 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Over-The-Counter

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glucocorticoid receptor agonist Glucocorticoid receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AsthmaD001249EFO:0000270asthma4ClinicalTrials
DailyMed
DailyMed
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease4ClinicalTrials
DailyMed
Lung Diseases, ObstructiveD008173HP:0006536obstructive lung disease4ATC
Rhinitis, Allergic, SeasonalD006255EFO:0003956seasonal allergic rhinitis3ClinicalTrials
RhinitisD0122203ClinicalTrials
Rhinitis, VasomotorD012223EFO:0007533vasomotor rhinitis3ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
Rhinitis, Allergic, PerennialD012221EFO:1001417Rhinitis, Allergic, Perennial3ClinicalTrials

Clinical Data

ClinicalTrials.gov FLUTICASONE FUROATE
The Cochrane Collaboration FLUTICASONE FUROATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1676. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.585
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.551
CHEMBL2186 Carbonic anhydrase XIII Mus musculus 0.530
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.514
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.347
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.307



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.979
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.902
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.311
CHEMBL4729 Cytochrome P450 2B6 Homo sapiens 0.277

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
538.6 538.1637 4.93 4 93.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 6 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.52 - 3.42 3.42 1 37 0.54

Structural Alerts

There are 13 structural alerts for CHEMBL1676. To view alerts please click here.

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R03 - DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03B - OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
R03BA - Glucocorticoids
R03BA09 - fluticasone furoate

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AD - Corticosteroids
R01AD12 - fluticasone furoate

ChemSpider ChemSpider:XTULMSXFIHGYFS-VLSRWLAYSA-N
DailyMed fluticasone furoate
Wikipedia Fluticasone_furoate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1676



ACToR 397864-44-7
BindingDB 50354851
ChEBI 74899
ChemicalBook CB51509114
DrugBank DB08906
DrugCentral 4554
eMolecules 36758202
EPA CompTox Dashboard DTXSID60228586
FDA SRS JS86977WNV
IBM Patent System A03F7746273216171134D84258269C0B
Nikkaji J2.515.103H
PDBe GW6
PubChem 9854489
PubChem: Drugs of the Future 24714804
PubChem: Thomson Pharma 14910231 15309035
SureChEMBL SCHEMBL140504
ZINC ZINC000003992105

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XTULMSXFIHGYFS-VLSRWLAYSA-N spacer
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