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 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
5-HT2C receptor Rn Antagonist Antagonist 9.3 pKi - 12
pKi 9.3 [12]
5-HT2A receptor Rn Antagonist Antagonist 8.4 – 9.5 pKi - 10,16
pKi 8.4 – 9.5 [10,16]
5-HT2C receptor Hs Antagonist Antagonist 8.6 – 9.1 pKi - 9,14
pKi 8.6 – 9.1 [9,14]
5-HT2B receptor Hs Agonist Partial agonist 8.0 – 9.4 pKi - 14,26,30
pKi 8.0 – 9.4 [14,26,30]
5-HT2C receptor Rn Agonist Partial agonist 8.7 pKi - 26
pKi 8.7 [26]
5-HT1D receptor Hs Antagonist Antagonist 8.4 – 8.9 pKi - 18,31
pKi 8.4 – 8.9 [18,31]
5-HT2A receptor Hs Antagonist Antagonist 8.4 pKi - 14
pKi 8.4 [14]
5-HT1F receptor Hs Antagonist Antagonist 8.2 pKi - 1,29
pKi 8.2 [1,29]
5-HT2B receptor Rn Agonist Partial agonist 8.2 pKi - 28
pKi 8.2 [28]
5-HT7 receptor Mm Antagonist Antagonist 7.9 pKi - 24
pKi 7.9 [24]
5-HT7 receptor Rn Antagonist Antagonist 7.9 pKi - 27
pKi 7.9 [27]
5-HT2A receptor Rn Agonist Partial agonist 7.8 pKi - 26
pKi 7.8 [26]
5-HT7 receptor Hs Antagonist Antagonist 7.1 – 7.8 pKi - 3,13,17
pKi 7.1 – 7.8 [3,13,17]
5-HT1B receptor Hs Antagonist Antagonist 6.6 – 7.6 pKi - 23,31
pKi 6.6 – 7.6 [23,31]
5-HT5A receptor Hs Antagonist Antagonist 7.0 pKi - 25
pKi 7.0 [25]
5-HT5A receptor Mm Antagonist Antagonist 6.3 – 7.2 pKi - 20,32
pKi 6.3 – 7.2 [20,32]
5-HT5A receptor Rn Antagonist Antagonist 6.7 pKi - 11
pKi 6.7 [11]
5-ht1e receptor Hs 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 Hs Antagonist Antagonist 6.5 – 6.8 pKi - 5,7,15
pKi 6.5 – 6.8 [5,7,15]
5-HT6 receptor Rn Antagonist Antagonist 6.4 – 6.6 pKi - 4,6-7,22
pKi 6.4 – 6.6 [4,6-7,22]
5-HT1F receptor Rn Antagonist Antagonist 7.8 pIC50 - 19
pIC50 7.8 [19]