CHEMBL3959926
| SMILES | CCCCCC(O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 |
| InChIKey | ZZPVJHFTTJXWMD-LQUPIGEUSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 440.2 |
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 | 6.3 | 6.3 | 6.3 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 6.37 | 6.8 | 7.24 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |