PREDNISOLONE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A07EA01 C05AA04 D07AA03 D07XA02 H02AB06 R01AD02 S01BA04 S01CB02 S02BA03 S03BA02
UNII 9PHQ9Y1OLM
EPA CompTox DTXSID9021184

Structure

InChI Key OIGNJSKKLXVSLS-VWUMJDOOSA-N
Smiles C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChI
InChI=1S/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28O5
Molecular Weight 360.45
AlogP 1.56
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Ligase
32 - - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Steroid-like ligand receptor
- 251 - - -
Secreted protein
- - - 30.9 -
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
2.1-211 2.1-340 - 1.14-5.3 71-100
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
0.002-2 11-44 - 0.29-37 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 2.3-110.37
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 79.83-110.37
Homo sapiens
0.002-211 2.1-760 - 0.29-37 0.14-98
Mus musculus
3.4-5.7 5.9 - - 22-100
Rattus norvegicus
19.6-50 4.6-196.3 - - 26.6-111

Target Conservation

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

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Romania

Cross References

Resources Reference
ChEBI 8378
ChEMBL CHEMBL131
DrugBank DB00860
DrugCentral 2245
FDA SRS 9PHQ9Y1OLM
Human Metabolome Database HMDB0014998
Guide to Pharmacology 2866
KEGG C07369
PDB TUA
PharmGKB PA451096
PubChem 5755
SureChEMBL SCHEMBL3233
ZINC ZINC000003833821
CONTENTS