CHEMBL286908


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 14
Molecular weight (Da) 726.3

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 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Mouse Cholecystokinin A pIC50 6.41 6.41 6.41 ChEMBL
CCK2 GASR Mouse Cholecystokinin A pIC50 6.37 6.37 6.37 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 7.12 7.12 7.12 ChEMBL