CHEMBL1182155
SMILES | COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |
InChIKey | GYSZUJHYXCZAKI-AWEZNQCLSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 345.2 |
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 |
α2A | ADA2A | Rat | Adrenoceptors | A | pKd | 6.92 | 6.92 | 6.92 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 9.17 | 9.17 | 9.17 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 9.49 | 9.73 | 9.98 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.29 | 9.29 | 9.29 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.39 | 9.39 | 9.39 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.61 | 8.61 | 8.61 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.61 | 8.61 | 8.61 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |