CHEMBL280980


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21
InChIKey KPVDSHPOPXBPGL-SANMLTNESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 641.2

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 pIC50 6.42 6.42 6.42 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.36 6.36 6.36 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.42 6.42 6.42 ChEMBL