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
CCK2 GASR Mouse Cholecystokinin A pKi 9.83 9.83 9.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Mouse Cholecystokinin A pIC50 9.8 9.8 9.8 Guide to Pharmacology
CCK2 GASR Mouse Cholecystokinin A pIC50 9.29 9.71 9.82 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 7.52 7.58 7.59 ChEMBL