CHEMBL305568
| SMILES | Cc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(=O)O)c1 |
| InChIKey | YBAUCGTYXKRKDX-VRDFFRDUSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 424.1 |
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 |
| EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 8.72 | 8.72 | 8.72 | ChEMBL |
| EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP4 | PE2R4 | Mouse | Prostanoid | A | pEC50 | 8.55 | 8.55 | 8.55 | ChEMBL |