CI-988


SMILES O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O
InChIKey FVQSSYMRZKLFDR-ZABPBAJSSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 614.3

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 Rat Cholecystokinin A pKi 6.57 7.36 8.14 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pKi 8.84 8.84 8.84 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 6.2 6.2 6.2 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pKi 9.83 9.83 9.83 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 8.73 9.15 9.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pIC50 9.1 9.1 9.1 Guide to Pharmacology
CCK2 GASR Mouse Cholecystokinin A pIC50 8.8 8.8 8.8 Guide to Pharmacology
CCK1 CCKAR Rat Cholecystokinin A pIC50 5.6 5.6 5.6 Guide to Pharmacology
CCK2 GASR Rat Cholecystokinin A pIC50 7.52 7.52 7.52 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 5.37 8.2 8.77 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 5.37 5.94 8.77 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 9.86 9.86 9.86 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 5.98 5.98 5.98 ChEMBL