CHEMBL282175


SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(C=C(N)N)n3)C2=O)c1
InChIKey ORKTXEXUNGBQLE-DHUJRADRSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 16
Molecular weight (Da) 769.3

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 5.5 5.5 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.36 5.36 5.36 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.03 6.03 6.03 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.77 7.77 7.77 ChEMBL