CHEMBL2220895
SMILES | COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |
InChIKey | CQFKZCAKNRCPDY-ZDUSSCGKSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 379.1 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 8.52 | 8.52 | 8.52 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 8.05 | 8.05 | 8.05 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.66 | 8.66 | 8.66 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 9.04 | 9.3 | 9.56 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.15 | 9.15 | 9.15 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.05 | 9.05 | 9.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |