Ligand Data

Ligand

id 10648
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