pregnenolone sulphate

Ligand Id: 4290
Ligand name pregnenolone sulphate

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 89.05
Molecular weight 396.2
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Sodium/bile acid and sulphated solute cotransporter 6 1
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1 Antagonist Antagonist 5.7 pKi -
pKi 5.7 (Ki 1.9x10-6 M)
α2 Antagonist Antagonist 5.3 pKi -
pKi 5.3 (Ki 5.5x10-6 M)
β Antagonist Antagonist 5.0 – 5.6 pKi -
pKi 5.6 (Ki 2.7x10-6 M) when co-expressed with the α1 subunit
pKi 5.0 (Ki 1.01x10-5 M) when co-expressed with the α2 subunit
TRPM3 Activator - - - - 3
[3]
TRPM1 Activator - - - - 2
[2]
Ligand mentioned in the following text fields