Ligand id: 2376

Name: pregnenolone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.3
Molecular weight 316.24
XLogP 4.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Harteneck C. (2013)
Pregnenolone sulfate: from steroid metabolite to TRP channel ligand.
Molecules, 18 (10): 12012-28. [PMID:24084011]
2. Maksay G, Laube B, Betz H. (2001)
Subunit-specific modulation of glycine receptors by neurosteroids.
Neuropharmacology, 41 (3): 369-76. [PMID:11522328]
3. Marx CE, Bradford DW, Hamer RM, Naylor JC, Allen TB, Lieberman JA, Strauss JL, Kilts JD. (2011)
Pregnenolone as a novel therapeutic candidate in schizophrenia: emerging preclinical and clinical evidence.
Neuroscience, 191: 78-90. [PMID:21756978]
4. Reddy DS. (2010)
Neurosteroids: endogenous role in the human brain and therapeutic potentials.
Prog. Brain Res., 186: 113-37. [PMID:21094889]
5. VallĂ©e M, Mayo W, Le Moal M. (2001)
Role of pregnenolone, dehydroepiandrosterone and their sulfate esters on learning and memory in cognitive aging.
Brain Res. Brain Res. Rev., 37 (1-3): 301-12. [PMID:11744095]