2-methyl-5-HT

Ligand id: 218

Name: 2-methyl-5-HT

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 62.04
Molecular weight 190.11
XLogP 1.24
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-HT6 receptor Rn Agonist Full agonist 6.2 – 7.3 pKi - 3
pKi 6.2 – 7.3 [3]
5-HT2B receptor Rn Agonist Full agonist 6.6 pKi - 10
pKi 6.6 [10]
5-HT1F receptor Hs Agonist Full agonist 6.4 pKi - 1
pKi 6.4 [1]
5-HT1B receptor Hs Agonist Full agonist 6.1 pKi - 11
pKi 6.1 [11]
5-ht1e receptor Hs Agonist Full agonist 6.1 pKi - 1
pKi 6.1 [1]
5-HT1D receptor Hs Agonist Full agonist 5.7 – 6.2 pKi - 8,11
pKi 5.7 – 6.2 [8,11]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT3A Hs Agonist Agonist 6.0 – 6.7 pKi - 5-7,9
pKi 6.0 – 6.7 [5-7,9]
5-HT3A Hs Agonist Agonist 5.5 – 5.6 pEC50 - 2,4,7,9
pEC50 5.5 – 5.6 (EC50 3.1x10-6 – 2.5x10-6 M) [2,4,7,9]
5-HT3AB Hs Agonist Agonist 4.9 pEC50 - 4
pEC50 4.9 [4]