MEDRYSONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC S01BA08
UNII D2UFC189XF
EPA CompTox DTXSID6045371

Structure

InChI Key GZENKSODFLBBHQ-ILSZZQPISA-N
Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
InChI
InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O3
Molecular Weight 344.5
AlogP 3.94
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 54.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed
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
- - - - 86.36-90.89
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 86.36-90.89

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 34829
ChEMBL CHEMBL1201173
DrugBank DB00253
DrugCentral 1662
FDA SRS D2UFC189XF
Human Metabolome Database HMDB0014398
Guide to Pharmacology 7086
KEGG C14643
PharmGKB PA450346
PubChem 247839
SureChEMBL SCHEMBL4493
ZINC ZINC000003977945
CONTENTS