PD136450


SMILES O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O
InChIKey REMAMJQTIPBFTH-MYJPUEAFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 612.3

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
CCK1 CCKAR Rat Cholecystokinin A pKi 5.9 5.9 5.9 Guide to Pharmacology
CCK2 GASR Mouse Cholecystokinin A pKi 9.29 9.29 9.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Mouse Cholecystokinin A pIC50 9.15 9.15 9.15 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.1 6.1 6.1 ChEMBL