CHEMBL3287082
| SMILES | COc1cc(CC(=O)O)ccc1Oc1ccc2[nH]c(C3CC3)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl |
| InChIKey | IWIQCOQSIIZLAR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 560.1 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| DP1 | PD2R | Human | Prostanoid | A | pIC50 | 6.46 | 6.79 | 7.13 | ChEMBL |
| DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 7.6 | 7.85 | 8.1 | ChEMBL |