CHEMBL30821


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21
InChIKey RURHWSRXSNDSQJ-HKBQPEDESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 14
Molecular weight (Da) 726.3

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 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 6.92 6.92 6.92 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.7 6.7 6.7 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.1 7.1 7.1 ChEMBL