CHEMBL3040803
| SMILES | COc1ccc2c(c1OCCNC[C@H]1COc3ccccc3O1)NCC2 |
| InChIKey | GENVWLSAPICTPF-HNNXBMFYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 356.2 |
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 |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 9.08 | 9.08 | 9.08 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.45 | 7.45 | 7.45 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 8.03 | 8.23 | 8.44 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |