methylergonovine

Ligand id: 150

Name: methylergonovine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 68.36
Molecular weight 339.19
XLogP 1.23
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-HT2A receptor Hs Agonist Full agonist 9.4 pKi - 3
pKi 9.4 [3]
5-HT2B receptor Hs Agonist Partial agonist 9.3 pKi - 3-4
pKi 9.3 [3-4]
5-HT2C receptor Hs Agonist Full agonist 8.3 pKi - 3
pKi 8.3 [3]
5-HT2A receptor Rn Agonist Full agonist 7.9 pKi - 4
pKi 7.9 [4]
5-HT2C receptor Rn Agonist Full agonist 7.9 pKi - 4
pKi 7.9 [4]
5-HT1F receptor Hs Antagonist Antagonist 7.5 pKi - 1
pKi 7.5 [1]
5-ht1e receptor Hs Antagonist Antagonist 7.0 – 7.2 pKi - 1-2
pKi 7.0 – 7.2 [1-2]