prednisolone   Click here for help

GtoPdb Ligand ID: 2866

Synonyms: DELTA.1-Cortisol | Orapred® | Pediapred®
Approved drug PDB Ligand Immunopharmacology Ligand
prednisolone is an approved drug (FDA (1955))
Compound class: Synthetic organic
Comment: Prednisolone is a synthetic glucocorticoid. Marketed formulations may contain prednisolone sodium phosphate, prednisolone acetate, prednisolone hexanoate or prednisolone.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 94.83
Molecular weight 360.19
XLogP 1.02
No. Lipinski's rules broken 0
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Isomeric SMILES OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
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
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Glucocorticoid receptor Primary target of this compound Hs Agonist Full agonist 8.6 pKi - 1
pKi 8.6 (Ki 2.4x10-9 M) [1]
Mineralocorticoid receptor Hs Agonist Agonist 7.4 pKi - 1
pKi 7.4 (Ki 3.7x10-8 M) [1]
Glucocorticoid receptor Primary target of this compound Hs Agonist Full agonist 7.8 – 8.1 pIC50 - 2-3
pIC50 8.1 (IC50 7x10-9 M) [3]
Description: Binding to human GR in vitro.
pIC50 7.8 (IC50 1.58x10-8 M) [2]
Mineralocorticoid receptor Hs Agonist Agonist 8.0 pIC50 - 3
pIC50 8.0 (IC50 1.1x10-8 M) [3]