CHEMBL1258344
SMILES | O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1CC(O)CN1CCN(c2ccccc2)CC1 |
InChIKey | ROSFUYQZCZTAGG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 470.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKd | 6.34 | 6.34 | 6.34 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 5.98 | 5.98 | 5.98 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |