Chembl10136
Chemical Properties
| SMILES | O=C(O)c1c(-c2ccc3c(c2)OCO3)c2cc(OCc3ccccc3)ccc2n1-c1ccc2c(c1)OCO2 |
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight | 507.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | XJEFQVHNUODKBN-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| ETB | EDNRB | Human | Endothelin | A | pIC50 | 4.85 | 4.85 | 4.85 | ChEMBL |
| ETA | EDNRA | Human | Endothelin | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |