CHEMBL368286
| SMILES | Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCC(C)C2)nc1C(=O)O |
| InChIKey | YODBGBBLOOMVGQ-VJZJYSEDSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 550.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| ETB | EDNRB | Pig | Endothelin | A | pIC50 | 4.66 | 4.66 | 4.66 | ChEMBL |
| ETA | EDNRA | Rat | Endothelin | A | pIC50 | 7.58 | 7.58 | 7.58 | ChEMBL |