CHEMBL284976


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21
InChIKey WDFRRHNMLAWMDT-KDXMTYKHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 745.4

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 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.21 5.21 5.21 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.7 6.7 6.7 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.96 7.96 7.96 ChEMBL