PREDNISOLONE TEBUTATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 1V7A1U282K
EPA CompTox DTXSID8023505
Parent Compound: PREDNISOLONE

Structure

InChI Key HUMXXHTVHHLNRO-KAJVQRHHSA-N
Smiles CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI
InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H38O6
Molecular Weight 458.6
AlogP 3.54
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN

Target Conservation

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

Cross References

Resources Reference
ChEBI 8381
ChEMBL CHEMBL1200909
DrugBank DB14632
DrugCentral 2251
FDA SRS 1V7A1U282K
KEGG C08182
PubChem 93055
SureChEMBL SCHEMBL40845
ZINC ZINC000004097474
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