CHEMBL1185884
SMILES | COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 |
InChIKey | MRCKSWXOWOMYII-QGZVFWFLSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 365.2 |
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 |
α2A | ADA2A | Rat | Adrenoceptors | A | pKd | 6.2 | 6.2 | 6.2 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 8.0 | 8.0 | 8.0 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 7.83 | 7.83 | 7.83 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.23 | 7.23 | 7.23 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.65 | 7.65 | 7.65 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |