Ligand Data

Ligand

id 31635
Name CHEMBL139464
SMILES C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cccc(NS(C)(=O)=O)c1)c1ccccc1
InChIKey UNGJRWQXFMCGEL-AFJIDDCJSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight 548.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
NK1 NK1R Human Tachykinin A (Rhodopsin) 7244 7244 7244