methysergide

Ligand id: 134

Name: methysergide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 57.5
Molecular weight 353.21
XLogP 1.47
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!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT2C receptor Antagonist Antagonist 8.6 – 9.1 pKi - 9,14
pKi 8.6 – 9.1 [9,14]
5-HT2B receptor Agonist Partial agonist 8.0 – 9.4 pKi - 14,26,30
pKi 8.0 – 9.4 [14,26,30]
5-HT1D receptor Antagonist Antagonist 8.4 – 8.9 pKi - 18,31
pKi 8.4 – 8.9 [18,31]
5-HT2A receptor Antagonist Antagonist 8.4 pKi - 14
pKi 8.4 [14]
5-HT1F receptor Antagonist Antagonist 8.2 pKi - 1,29
pKi 8.2 [1,29]
5-HT7 receptor Antagonist Antagonist 7.1 – 7.8 pKi - 3,13,17
pKi 7.1 – 7.8 [3,13,17]
5-HT1B receptor Antagonist Antagonist 6.6 – 7.6 pKi - 23,31
pKi 6.6 – 7.6 [23,31]
5-HT5A receptor Antagonist Antagonist 7.0 pKi - 25
pKi 7.0 [25]
5-ht1e receptor Antagonist Antagonist 6.5 – 6.8 pKi - 1-2,8,21,23
pKi 6.5 – 6.8 [1-2,8,21,23]
5-HT6 receptor Antagonist Antagonist 6.5 – 6.8 pKi - 5,7,15
pKi 6.5 – 6.8 [5,7,15]
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT7 receptor Antagonist Antagonist 7.9 pKi - 24
pKi 7.9 [24]
5-HT5A receptor Antagonist Antagonist 6.3 – 7.2 pKi - 20,32
pKi 6.3 – 7.2 [20,32]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT2C receptor Antagonist Antagonist 9.3 pKi - 12
pKi 9.3 [12]
5-HT2A receptor Antagonist Antagonist 8.4 – 9.5 pKi - 10,16
pKi 8.4 – 9.5 [10,16]
5-HT2C receptor Agonist Partial agonist 8.7 pKi - 26
pKi 8.7 [26]
5-HT2B receptor Agonist Partial agonist 8.2 pKi - 28
pKi 8.2 [28]
5-HT7 receptor Antagonist Antagonist 7.9 pKi - 27
pKi 7.9 [27]
5-HT2A receptor Agonist Partial agonist 7.8 pKi - 26
pKi 7.8 [26]
5-HT5A receptor Antagonist Antagonist 6.7 pKi - 11
pKi 6.7 [11]
5-HT6 receptor Antagonist Antagonist 6.4 – 6.6 pKi - 4,6-7,22
pKi 6.4 – 6.6 [4,6-7,22]
5-HT1F receptor Antagonist Antagonist 7.8 pIC50 - 19
pIC50 7.8 [19]