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Compound Detail

CHEMBL1201396

FLUTICASONE
🧪 Phase III
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🧪 Phase III
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(O)C(=O)SCF

Basic Information

ChEMBL ID CHEMBL1201396
Name FLUTICASONE
Phase Phase III
Structure Type MOL
InChI Key MGNNYOODZCAHBA-GQKYHHCASA-N

Known Names

Fluticasone
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
1
Known Names
5
Indications

Molecular Properties

444.5
MW (Da)
3.47
ALogP
5
HBA
2
HBD
74.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C22H27F3O4S
MW 444.52
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 1.66

Indications

Asthma Croup Eosinophilic Esophagitis Pulmonary Disease, Chronic Obstructive Diabetes Mellitus

Activity Summary

IC50 1 meas. best 9.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
IC50 9.82 9.82 0.1 1

Pharmacokinetic Data

Parameter Value Units Species
F 1.0 % Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor IC50 = 0.15 nM 9.82 Glucocorticoid Receptor Competitor Assay: The potency of binding to gucocorticoi... -

Literature References

PubMed DOI Target Context # Activities
16472241 10.2174/1570163043334794 Hepatotoxicity 18
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
30351000 10.1021/acs.jmedchem.8b00873 Rattus norvegicus 2
17870541 10.1016/j.bmc.2007.08.060 Homo sapiens 1
21888439 10.1021/jm200677b No relevant target 1
21888439 10.1021/jm200677b Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine