PREDNISOLONE ACETATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 8B2807733D
EPA CompTox DTXSID3023502
Parent Compound: PREDNISOLONE

Structure

InChI Key LRJOMUJRLNCICJ-JZYPGELDSA-N
Smiles CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C23H30O6/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/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H30O6
Molecular Weight 402.49
AlogP 2.13
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 FDA
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
- - - - 63.69-106.69
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 63.69-106.69

Target Conservation

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

Cross References

Resources Reference
ChEBI 8380
ChEMBL CHEMBL1152
DrugBank DB15566
DrugCentral 2247
FDA SRS 8B2807733D
KEGG C08180
PubChem 5834
SureChEMBL SCHEMBL7999
ZINC ZINC000003875348
CONTENTS