CHEMBL177802


SMILES CCS(=O)(=O)NCCCOc1nc(C2CC2)nc(NS(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC
InChIKey UPQGVXBBBKNPNZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 15
Molecular weight (Da) 605.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Rat Endothelin A pKd 6.57 6.57 6.57 ChEMBL
ETA EDNRA Rat Endothelin A pKd 6.98 6.98 6.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 7.35 7.35 7.35 ChEMBL
ETB EDNRB Human Endothelin A pIC50 6.99 6.99 6.99 ChEMBL