METHYLPREDNISOLONE ACETATE

Search structure
Synonyms:
Status: Approved (1959)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 43502P7F0P

Structure
InChI Key PLBHSZGDDKCEHR-LFYFAGGJSA-N
Smile CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19,21,27,29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32O6
Molecular Weight 416.51
AlogP 2.37
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 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor 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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials
Shoulder Impingement Syndrome 2 D019534 ClinicalTrials
Tennis Elbow 2 D013716 ClinicalTrials
Gout 2 D006073 ClinicalTrials
Chronic Pain 2 D059350 ClinicalTrials
Optic Neuritis 2 D009902 ClinicalTrials
Low Back Pain 0 D017116 ClinicalTrials
Neuralgia 0 D009437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6889
ChEMBL CHEMBL1364144
DrugCentral 1770
EPA CompTox DTXSID7023302
FDA SRS 43502P7F0P
KEGG C08179
SureChEMBL SCHEMBL13231
ZINC ZINC000118912449
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