Ligand Data

Ligand

id 62171
Name CHEMBL176850
SMILES CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1
InChIKey MZQIEEBUCHJUJU-NNYJQHGCSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight 564.3


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
CCR5 CCR5 Human Chemokine A (Rhodopsin) 1.3 1.3 1.3