methylergonovine [5099]



methylergonovine


SMILES CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
InChIKey UNBRKDKAWYKMIV-QWQRMKEZSA-N

Chemical Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Log P 1.925
Molecular weight (Da) 339.2
Stereochemistry info partial

Database connections

Structure pdb 6DRY 7UM7
Model (Boltz2) 5-HT2B D1
Ligand site mutations 5-HT2B 5-HT5A
GPCRdb related ligands

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

methylergonovine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 2

Database connections

Structure pdb 6DRY 7UM7
Model (Boltz2) 5-HT2B D1
Ligand site mutations 5-HT2B 5-HT5A
GPCRdb related ligands

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score