Ligand id: 2866

Name: prednisolone

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View more information in the IUPHAR Pharmacology Education Project: prednisolone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

1. Coghlan MJ, Kym PR, Elmore SW, Wang AX, Luly JR, Wilcox D, Stashko M, Lin CW, Miner J, Tyree C et al.. (2001)
Synthesis and characterization of non-steroidal ligands for the glucocorticoid receptor: selective quinoline derivatives with prednisolone-equivalent functional activity.
J. Med. Chem., 44 (18): 2879-85. [PMID:11520196]
2. Lind U, Greenidge P, Gillner M, Koehler KF, Wright A, Carlstedt-Duke J. (2000)
Functional probing of the human glucocorticoid receptor steroid-interacting surface by site-directed mutagenesis. Gln-642 plays an important role in steroid recognition and binding.
J. Biol. Chem., 275 (25): 19041-9. [PMID:10747884]
3. Ripa L, Edman K, Dearman M, Edenro G, Hendrickx R, Ullah V, Chang HF, Lepistö M, Chapman D, Geschwindner S et al.. (2018)
Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61 (5): 1785-1799. [PMID:29424542]