Ligand Data

Ligand

id 93414
Name CHEMBL2436823
SMILES CCOc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1
InChIKey VURDNTUYRFUWGF-UHFFFAOYSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight 461.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
CCR5 CCR5 Human Chemokine A (Rhodopsin) 61000 61000 61000