Ligand Data
Ligand
| Name | CHEMBL417325 |
| SMILES | CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCCC4C(=O)O)O)O |
| InChIKey | PSTMRGCDBFOIHC-UPVQGACJSA-N |
| Type | small molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 9 |
| Molecular weight | 546.6 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| β2 | adrb2_human | Human | Adrenoceptors | Class A (Rhodopsin) | 20.0 | 20.0 | 20.0 | |||
| β3 | adrb3_human | Human | Adrenoceptors | Class A (Rhodopsin) | 98.0 | 98.0 | 98.0 | |||