CHEMBL282645


SMILES Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1
InChIKey BUPULZSGJRTAJI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 17
Molecular weight (Da) 787.4

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 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.03 5.03 5.03 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.54 6.54 6.54 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.22 7.22 7.22 ChEMBL