CHEMBL29888


SMILES Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1
InChIKey PUMVZQPDPMFSFN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 685.2

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 5.27 5.27 5.27 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.46 6.46 6.46 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.87 6.87 6.87 ChEMBL