CHEMBL1630942
SMILES | COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |
InChIKey | QXNTWXQFMCUIBK-LPMFXHHGSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 406.2 |
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 |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.94 | 7.94 | 7.94 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.81 | 7.81 | 7.81 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 7.67 | 7.67 | 7.67 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.79 | 7.79 | 7.79 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |