CHEMBL1083182
| SMILES | COc1ccccc1OCCNCC1CSC(c2ccccc2)(c2ccccc2)O1 |
| InChIKey | PEVLAFDVQRAQGN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 421.2 |
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 |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.99 | 8.99 | 8.99 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |