ergometrine


SMILES OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C
InChIKey WVVSZNPYNCNODU-XTQGRXLLSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 325.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations 5-HT2A 5-HT2C

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Guide to Pharmacology
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.57 6.57 6.57 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.89 7.89 7.89 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.92 8.92 8.92 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.58 6.58 6.58 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pEC50 7.17 7.17 7.17 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.8 4.8 4.8 ChEMBL