METHYLPREDNISOLONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D07AA01 D10AA02 H02AB04
UNII X4W7ZR7023
EPA CompTox DTXSID7023300

Structure

InChI Key VHRSUDSXCMQTMA-PJHHCJLFSA-N
Smiles C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12
InChI
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30O5
Molecular Weight 374.48
AlogP 1.8
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 27.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed 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
- - - - 79.56-93.74
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 79.56-93.74

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 6888
ChEMBL CHEMBL650
DrugBank DB00959
DrugCentral 1768
FDA SRS X4W7ZR7023
Human Metabolome Database HMDB0015094
Guide to Pharmacology 7088
PharmGKB PA450466
PubChem 6741
SureChEMBL SCHEMBL5084
ZINC ZINC000003875560
CONTENTS