Molecule Details
| InChIKey | XCGSFFUVFURLIX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)- |
| Canonical SMILES | CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.87 |
| Source | BindingDB |
2D Structure
Activity Profile