ACT-335827

Ligand id: 9122

Name: ACT-335827

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 69.26
Molecular weight 518.28
XLogP 6.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
OX1 receptor Hs Antagonist Antagonist 8.1 – 8.2 pIC50 - 1
pIC50 8.1 – 8.2 (IC50 9x10-9 – 6x10-9 M) [1]
OX1 receptor Rn Antagonist Antagonist 7.6 – 8.1 pIC50 - 1
pIC50 7.6 – 8.1 (IC50 2.5x10-8 – 7x10-9 M) [1]
OX2 receptor Hs Antagonist Antagonist 6.3 – 6.6 pIC50 - 1
pIC50 6.3 – 6.6 (IC50 4.71x10-7 – 2.71x10-7 M) [1]
OX2 receptor Rn Antagonist Antagonist 6.0 – 6.2 pIC50 - 1
pIC50 6.0 – 6.2 (IC50 1.03x10-6 – 6.3x10-7 M) [1]