ergotamine



ergotamine

N O N H O O H N O N O N H

SMILES CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey XCGSFFUVFURLIX-VFGNJEKYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 581.3

Database connections

Structure pdb 4NC3 4IAR 4IB4 5TUD 6BQG 7C61
Ligand site mutations 5-HT1B 5-HT2B 5-HT2C 5-HT6

Bioactivities

ergotamine

N O N H O O H N O N O N H

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Clinical Trials

Phase I 9
Phase II 0
Phase III 0
Approved Yes

Database connections

Structure pdb 4NC3 4IAR 4IB4 5TUD 6BQG 7C61
Ligand site mutations 5-HT1B 5-HT2B 5-HT2C 5-HT6

Sankey plot

Drug Information