Ligand Data

Ligand

id 8694
Name CHEMBL1087695
SMILES C[C@@H](O[C@H]1CN2C(=O)CC(n3cnnc3)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey XGVZWSIALHIERJ-NGOXTRIGSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight 542.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
NK1 NK1R Human Tachykinin A (Rhodopsin) 0.1 0.4 0.8