PF-04418948
| SMILES | COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O |
| InChIKey | LWJGMYMNSNVCEM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 409.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pKi | 8.12 | 8.12 | 8.12 | ChEMBL |
| EP2 | PE2R2 | Human | Prostanoid | A | pKd | 8.74 | 8.74 | 8.74 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pKB | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| EP2 | PE2R2 | Mouse | Prostanoid | A | pKB | 8.32 | 8.32 | 8.32 | Guide to Pharmacology |
| EP2 | PE2R2 | Human | Prostanoid | A | pIC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
| BLT1 | LT4R1 | Human | Leukotriene | A | pIC50 | 5.01 | 5.01 | 5.01 | ChEMBL |