CHEMBL33398


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21
InChIKey PUMYZJXXNPHQSD-WBCKFURZSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 17
Molecular weight (Da) 816.4

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
H2 HRH2 Rat Histamine A pKd 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.09 5.09 5.09 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.99 6.99 6.99 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.72 7.72 7.72 ChEMBL