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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations 5-HT2A 5-HT2C

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 Guide to Pharmacology
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.5 8.5 8.5 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.89 8.89 8.89 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.88 6.88 6.88 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.33 8.33 8.33 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.53 5.53 5.53 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.82 8.82 8.82 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.58 8.58 8.58 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.96 7.96 7.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.71 6.71 6.71 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.2 9.2 9.2 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.74 6.74 6.74 ChEMBL
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 7.06 7.06 7.06 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 7.21 7.21 7.21 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 8.26 8.26 8.26 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 Drug Central
α1B ADA1B Human Adrenoceptors A pKd 8.2 8.2 8.2 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
D3 DRD3 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 8.55 8.55 8.55 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.54 6.54 6.54 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.09 8.09 8.09 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.78 5.78 5.78 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.23 5.23 5.23 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 8.49 8.49 8.49 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 8.38 8.38 8.38 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.68 7.68 7.68 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.25 6.25 6.25 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 8.66 8.66 8.66 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.26 6.26 6.26 ChEMBL
D2 DRD2 Human Dopamine A pEC50 8.1 8.1 8.1 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pEC50 8.05 8.05 8.05 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pEC50 8.11 8.11 8.11 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 8.07 8.07 8.07 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.09 8.09 8.09 Drug Central