SB 228357
| SMILES | COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1 |
| InChIKey | RRJLJKRFFRZRAF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 431.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| ETB | EDNRB | Human | Endothelin | A | pKd | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| ETA | EDNRA | Human | Endothelin | A | pIC50 | 5.0 | 5.04 | 5.09 | ChEMBL |
| ETB | EDNRB | Human | Endothelin | A | pIC50 | 7.92 | 8.35 | 9.1 | ChEMBL |