FLUDROCORTISONE ACETATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII V47IF0PVH4
EPA CompTox DTXSID2023062
Parent Compound:

Structure

InChI Key SYWHXTATXSMDSB-GSLJADNHSA-N
Smiles CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H31FO6
Molecular Weight 422.49
AlogP 2.44
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Mineralocorticoid receptor agonist AGONIST PubMed Wikipedia
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
- - - - 36.29-71.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 36.29-71.2

Target Conservation

Protein: Mineralocorticoid receptor
Description: Mineralocorticoid receptor
Organism : Homo sapiens
P08235 ENSG00000151623

Cross References

Resources Reference
ChEBI 5102
ChEMBL CHEMBL1201010
DrugCentral 1191
FDA SRS V47IF0PVH4
KEGG C08186
PubChem 225609
SureChEMBL SCHEMBL4737
ZINC ZINC000003977990
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