CHEMBL1915861
| SMILES | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C(C)(C)C(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 |
| InChIKey | BXYBFNHPEXVZMH-SFHVURJKSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 528.1 |
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 |
| IP | PI2R | Human | Prostanoid | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| DP1 | PD2R | Mouse | Prostanoid | A | pIC50 | 8.15 | 8.15 | 8.15 | ChEMBL |
| DP1 | PD2R | Human | Prostanoid | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |