CHEMBL490865
SMILES | CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 |
InChIKey | SQEHFDDHHDUNCK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 528.3 |
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 | 6.71 | 6.71 | 6.71 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKd | 6.07 | 6.07 | 6.07 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.59 | 7.59 | 7.59 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |