CHEMBL33743


SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1
InChIKey IJLVVMDQXVMEAV-WBCKFURZSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 17
Molecular weight (Da) 787.4

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 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 5.34 5.34 5.34 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 5.4 5.4 5.4 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.87 6.87 6.87 ChEMBL