CHEMBL3975743
| SMILES | C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1 |
| InChIKey | UXQWNSWYEJSWBM-GJWBGHMGSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 491.2 |
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 |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 9.55 | 9.55 | 9.55 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 6.83 | 6.83 | 6.83 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 8.5 | 9.75 | 11.0 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 9.13 | 9.13 | 9.13 | ChEMBL |