CHEMBL285995


SMILES CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21
InChIKey AYOSCIGSRGQEHC-UMSFTDKQSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 16
Molecular weight (Da) 741.3

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 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.89 5.89 5.89 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.52 6.52 6.52 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.43 7.43 7.43 ChEMBL