Ligand id: 2868

Name: cortisol

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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 362.21
XLogP 0.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hellal-Levy C, Couette B, Fagart J, Souque A, Gomez-Sanchez C, Rafestin-Oblin M. (1999)
Specific hydroxylations determine selective corticosteroid recognition by human glucocorticoid and mineralocorticoid receptors.
FEBS Lett., 464 (1-2): 9-13. [PMID:10611474]
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. Rupprecht R, Reul JM, van Steensel B, Spengler D, Söder M, Berning B, Holsboer F, Damm K. (1993)
Pharmacological and functional characterization of human mineralocorticoid and glucocorticoid receptor ligands.
Eur. J. Pharmacol., 247 (2): 145-54. [PMID:8282004]
4. Watanuki M, Tilley BE, Hall PF. (1978)
Cytochrome P-450 for 11beta- and 18-hydroxylase activities of bovine adrenocortical mitochondria: one enzyme or two?.
Biochemistry, 17 (1): 127-30. [PMID:412519]