Ligand Data

Ligand

id 100719
Name CHEMBL288083
SMILES CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1
InChIKey MAOUGGYRHFVTDN-NDEPHWFRSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 16
Molecular weight 563.3


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
β1 ADRB1 Human Adrenoceptors A (Rhodopsin) 2000 2000 2000
β3 ADRB3 Human Adrenoceptors A (Rhodopsin) 39.0 39.0 39.0
β2 ADRB2 Human Adrenoceptors A (Rhodopsin) 1415 1415 1415