roxindole

Ligand id: 52

Name: roxindole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 39.26
Molecular weight 346.2
XLogP 4.46
No. Lipinski's rules broken 0

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 Value Parameter Concentration range (M) Reference
5-HT1A receptor Hs Agonist Partial agonist 9.4 – 9.9 pKi - 1-2
pKi 9.4 – 9.9 [1-2]
D3 receptor Hs Agonist Partial agonist 8.9 pKi - 1
pKi 8.9 [1]
α2C-adrenoceptor Hs Antagonist Antagonist 8.8 pKi - 1
pKi 8.8 [1]
α1A-adrenoceptor Hs Antagonist Antagonist 8.6 pKi - 1
pKi 8.6 [1]
D2 receptor Hs Agonist Partial agonist 8.6 pKi - 1
pKi 8.6 [1]
D2 receptor Hs Antagonist Antagonist 8.6 pKi - 1
pKi 8.6 [1]
α2B-adrenoceptor Hs Antagonist Antagonist 8.3 pKi - 1
pKi 8.3 [1]
5-HT2A receptor Hs Antagonist Antagonist 8.2 pKi - 1
pKi 8.2 [1]
D4 receptor Hs Agonist Partial agonist 8.2 pKi - 1
pKi 8.2 [1]
5-HT2B receptor Hs Antagonist Antagonist 7.5 pKi - 1
pKi 7.5 [1]
5-HT1D receptor Hs Agonist Partial agonist 7.0 – 7.2 pKi - 1-2
pKi 7.0 – 7.2 [1-2]
5-HT2C receptor Hs Antagonist Antagonist 6.5 pKi - 1
pKi 6.5 [1]
5-HT1B receptor Hs Agonist Partial agonist 5.8 – 6.0 pKi - 1-2
pKi 5.8 – 6.0 [1-2]