Ligand Data

Ligand

id 122270
Name CHEMBL3589847
SMILES O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1
InChIKey PPJHFLILDOHJMC-UHFFFAOYSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight 558.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
CCR2 CCR2 Mouse Chemokine A (Rhodopsin) 3630 3630 3630
CCR2 CCR2 Human Chemokine A (Rhodopsin) 173 173 173