CHEMBL172163
| SMILES | COc1cc(CC2c3cc(O)c(O)cc3CCN2CCc2ccccc2)cc(OC)c1OC |
| InChIKey | DOKVQAIXMDCDFS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 449.2 |
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 |
| TP | TA2R | Human | Prostanoid | A | pKi | 4.79 | 4.79 | 4.79 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TP | TA2R | Human | Prostanoid | A | pIC50 | 4.38 | 4.38 | 4.38 | ChEMBL |