CHEMBL279778


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21
InChIKey JGBFILKSOSOQIX-SJARJILFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 18
Molecular weight (Da) 785.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Rat Histamine A pKd 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 6.47 6.47 6.47 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 7.04 7.04 7.04 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.96 6.96 6.96 ChEMBL