CHEMBL4597359
| SMILES | c1ccc(OCCNCC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 |
| InChIKey | MPFRLKLVOGUERN-AHWVRZQESA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 403.2 |
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 | Human | Adrenoceptors | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.05 | 7.05 | 7.05 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |