ERGOTAMINE
ERGOTAMINE
SMILES | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C |
InChIKey | XCGSFFUVFURLIX-UHFFFAOYSA-N |
Chemical Properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 581.3 |
Database connections
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
Database connections
Sankey plot
Drug Information
Target | Disease | Phase | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
Gene | Protein | Receptor family | Ligand type | Class | Indication name | ICD11 | ATC | Association score | Phase | Approved |