sitaxsentan
| SMILES | O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C |
| InChIKey | PHWXUGHIIBDVKD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 454.0 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| ETA | EDNRA | Rat | Endothelin | A | pKi | 9.37 | 9.37 | 9.37 | ChEMBL |
| ETA | EDNRA | Human | Endothelin | A | pKi | 9.37 | 9.37 | 9.37 | ChEMBL |
| ETA | EDNRA | Human | Endothelin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| ETA | EDNRA | Rat | Endothelin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| ETA | EDNRA | Human | Endothelin | A | pIC50 | 8.85 | 8.85 | 8.85 | ChEMBL |
| ETA | EDNRA | Human | Endothelin | A | pA2 | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| ETB | EDNRB | Human | Endothelin | A | pIC50 | 8.3 | 8.3 | 8.3 | Drug Central |
| ETB | EDNRB | Human | Endothelin | A | pIC50 | 5.01 | 6.51 | 8.01 | ChEMBL |