CHEMBL281017


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 702.4

Drug properties

Molecular type Small molecule
Endogenous/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 5.3 5.3 5.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.04 5.04 5.04 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 5.77 5.77 5.77 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.24 6.24 6.24 ChEMBL