CHEMBL2017835


SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2C(=O)[C@@H](Cc3n[nH]c4ccccc34)c3nnc(-c4ccccc4)n3-c3ccccc32)c1
InChIKey ZJGPYSQTJSMQNL-BHYZAODMSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 649.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Human Cholecystokinin A pKi 5.85 6.4 7.16 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pKi 6.04 6.75 7.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.77 7.3 7.83 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.16 7.2 8.12 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 6.0 7.31 9.09 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 7.16 8.72 9.92 ChEMBL