CHEMBL4237802
SMILES | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 |
InChIKey | ADKLHRQMUXRWQQ-VWLOTQADSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 5 |
Rotatable bonds | 12 |
Molecular weight (Da) | 476.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.33 | 8.33 | 8.33 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 4.9 | 4.9 | 4.9 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.01 | 5.01 | 5.01 | ChEMBL |