CE-326597


SMILES CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C
InChIKey UBNMGTSDHSQBEL-PMERELPUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 594.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pKi 6.77 7.18 7.61 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 6.37 6.83 7.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Human Cholecystokinin A pIC50 7.5 7.5 7.5 Guide to Pharmacology
CCK2 GASR Human Cholecystokinin A pIC50 6.56 7.39 8.77 ChEMBL
CCK2 GASR Human Cholecystokinin A pEC50 6.0 6.45 7.23 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 6.0 7.24 8.7 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 6.5 8.07 9.28 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 7.12 7.52 7.91 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pEC50 6.35 6.35 6.35 ChEMBL