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 | Rat | Endothelin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
ETA | EDNRA | Human | 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 | 5.01 | 5.01 | ChEMBL |