HYDROCORTISONE ACETATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 3X7931PO74
Parent Compound: HYDROCORTISONE

Structure

InChI Key ALEXXDVDDISNDU-JZYPGELDSA-N
Smiles CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32O6
Molecular Weight 404.5
AlogP 2.35
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 29.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Secreted protein
- - - 28.18 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 91.1-93.94
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 91.1-93.94

Target Conservation

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

Cross References

Resources Reference
ChEBI 17609
ChEMBL CHEMBL1091
DrugBank DB14539
DrugCentral 4213
FDA SRS 3X7931PO74
KEGG C02821
PubChem 5744
SureChEMBL SCHEMBL7419
ZINC ZINC000003875333
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