FLUNISOLIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC R01AD04 R03BA03
UNII 78M02AA8KF
EPA CompTox DTXSID1045534

Structure

InChI Key XSFJVAJPIHIPKU-XWCQMRHXSA-N
Smiles CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI
InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31FO6
Molecular Weight 434.5
AlogP 2.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 93.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 55.07-77.49
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 55.07-77.49

Target Conservation

Protein: Glucocorticoid receptor
Description: Glucocorticoid receptor
Organism : Homo sapiens
P04150 ENSG00000113580

Related Entries

Cross References

Resources Reference
ChEBI 5106
ChEMBL CHEMBL1512
DrugBank DB00180
DrugCentral 1201
FDA SRS 78M02AA8KF
Human Metabolome Database HMDB0014326
Guide to Pharmacology 7076
KEGG C07005
PharmGKB PA449661
PubChem 11954221
SureChEMBL SCHEMBL4351
ZINC ZINC000004097305
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