CHEMBL281082


SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1
InChIKey HTNVOFNARQMQGV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 13
Molecular weight (Da) 712.2

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 5.4 5.4 5.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 6.12 6.12 6.12 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 5.17 5.17 5.17 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 6.43 6.43 6.43 ChEMBL