pregnenolone sulphate

Ligand id: 4290

Name: pregnenolone sulphate

Structure and Physico-chemical Properties

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

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

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
glycine receptor α1 subunit Antagonist Antagonist 5.7 pKi -
pKi 5.7 (Ki 1.9x10-6 M)
glycine receptor α2 subunit Antagonist Antagonist 5.3 pKi -
pKi 5.3 (Ki 5.5x10-6 M)
glycine receptor β subunit 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
TRPM1 Activator - - - - 2
TRPM3 Activator - - - - 3
Ligand mentioned in the following text fields