CHEMBL30656


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

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 14
Molecular weight (Da) 742.2

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 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.96 5.96 5.96 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.51 6.51 6.51 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.92 7.92 7.92 ChEMBL