CHEMBL432671


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21
InChIKey CJNQYXMLTMYGKY-UMSFTDKQSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 15
Molecular weight (Da) 784.3

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 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.51 5.51 5.51 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 7.12 7.12 7.12 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 8.4 8.4 8.4 ChEMBL