PD-135666


SMILES OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1
InChIKey PGOLWKTUHWHYJS-SFMDGOMNSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 557.3

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
ETA EDNRA Human Endothelin A pKi 9.89 9.89 9.89 Guide to Pharmacology
ETB EDNRB Human Endothelin A pKi 6.76 6.76 6.76 Guide to Pharmacology
ETB EDNRB Human Endothelin A pKi 6.76 6.76 6.76 ChEMBL
ETA EDNRA Human Endothelin A pKi 9.89 9.89 9.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Human Endothelin A pIC50 6.76 6.76 6.76 ChEMBL
ETA EDNRA Human Endothelin A pIC50 8.77 8.77 8.77 ChEMBL