compound 47 [PMID: 35640059]
| SMILES | O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2 |
| InChIKey | WXDKVCQSVUOFSK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 425.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | pKd | 8.17 | 8.17 | 8.17 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 8.3 | 8.41 | 8.57 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| EP4 | PE2R4 | Mouse | Prostanoid | A | pIC50 | 7.61 | 7.61 | 7.61 | ChEMBL |