methylergonovine


SMILES CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO
InChIKey UNBRKDKAWYKMIV-QWQRMKEZSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 339.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6DRY 7UM7
Ligand site mutations 5-HT2B 5-HT5A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTRB Rat Angiotensin A pKi 8.99 8.99 8.99 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTRB Rat Angiotensin A pIC50 8.8 8.8 8.8 Guide to Pharmacology