ergotamine
ergotamine
SMILES | O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O |
InChIKey | XCGSFFUVFURLIX-VFGNJEKYSA-N |
Chemical Properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 581.3 |
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 |
ergotamine
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
Sankey plot
Drug Information
Target | Disease | Phase | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
Gene | Protein | Receptor family | Ligand type | Class | Indication name | ICD11 | ATC | Association score | Phase | Approved |