CHEMBL1962756
SMILES | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O |
InChIKey | LGNZQRMYJQAMTQ-QFQXNSOFSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 417.2 |
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 | 7.13 | 7.13 | 7.13 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.49 | 9.49 | 9.49 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |