CHEMBL3414622


SMILES O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1
InChIKey JCKGSPAAPQRPBW-OAQYLSRUSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 499.2

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
BB3 BRS3 Human Bombesin A pKi 5.09 5.09 5.09 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
κ OPRK Human Opioid A pKi 5.42 5.42 5.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database