CHEMBL484102
SMILES | COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 |
InChIKey | VDYXCGVNXROZOL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 514.3 |
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 | 6.85 | 6.85 | 6.85 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKd | 6.02 | 6.02 | 6.02 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 6.8 | 6.8 | 6.8 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |