CHEMBL450105


SMILES CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@H]3C(=O)NCC(=O)O)nc2-c2ccc(C)cc2)c1
InChIKey QKHVTHLTEWQMRA-HKBQPEDESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 618.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pEC50 9.96 9.96 9.96 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pEC50 10.05 10.05 10.05 ChEMBL
CCK1 CCKAR Human Cholecystokinin A pIC50 10.74 10.74 10.74 ChEMBL