CHEMBL3904946
| SMILES | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1 |
| InChIKey | ABNHKWJQNLIOML-YILGNFQOSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 396.2 |
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 |
| EP2 | PE2R2 | Human | Prostanoid | A | pKi | 5.65 | 5.82 | 5.99 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 7.19 | 7.79 | 8.4 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 7.12 | 7.61 | 8.1 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 5.33 | 5.33 | 5.33 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 8.4 | 8.96 | 9.52 | ChEMBL |