roxindole

Ligand id: 52

Name: roxindole

Structure and Physico-chemical Properties

2D Structure
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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

Selectivity at GPCRs
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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]