CHEMBL599812
| SMILES | Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cc(COc3cccc(C#N)c3)ccc2CCC(=O)O)c1 |
| InChIKey | RTNUVYOOKJGYIN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 498.3 |
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 | Mouse | Prostanoid | A | pKi | 7.11 | 7.11 | 7.11 | ChEMBL |
| EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 9.92 | 9.92 | 9.92 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP3 | PE2R3 | Mouse | Prostanoid | A | pIC50 | 8.41 | 8.41 | 8.41 | ChEMBL |