CHEMBL33412


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21
InChIKey MCNFWRDFEGILPS-GWHBCOKCSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 17
Molecular weight (Da) 857.5

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 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 6.13 6.13 6.13 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 7.35 7.35 7.35 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 8.15 8.15 8.15 ChEMBL