PREDNISONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A07EA03 H02AB07
UNII VB0R961HZT
EPA CompTox DTXSID4021185

Structure

InChI Key XOFYZVNMUHMLCC-ZPOLXVRWSA-N
Smiles C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChI
InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26O5
Molecular Weight 358.43
AlogP 1.77
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 91.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- - 29 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 9.8-92.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 23.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 69.78-92.1
Homo sapiens
29 - 29 - 9.8-23.3

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 8382
ChEMBL CHEMBL635
DrugBank DB00635
DrugCentral 2253
FDA SRS VB0R961HZT
Human Metabolome Database HMDB0014773
Guide to Pharmacology 7096
KEGG C07370
PharmGKB PA451100
PubChem 5865
SureChEMBL SCHEMBL3288
ZINC ZINC000003875357
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