Ligand Data

Ligand

id 24572
Name CHEMBL2261363
SMILES CC1=CC(=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CN(C5=C4C=CC(=C5)Cl)C)OC
InChIKey FDVBFLHJYUCEKU-UHFFFAOYSA-N
Type small molecule
External Links

Structure

Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight 527.0


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
ETA ednra_human Human Endothelin receptors Class A (Rhodopsin) 46.0 46.0 46.0
ETB ednrb_human Human Endothelin receptors Class A (Rhodopsin) 217.0 217.0 217.0