CHEMBL227713


SMILES O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21
InChIKey DRRWMFNQXRLTHS-VSGBNLITSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 619.2

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
B1 BKRB1 Human Bradykinin A pKi 9.4 9.4 9.4 ChEMBL
B1 BKRB1 Rat Bradykinin A pKi 6.9 6.9 6.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 9.1 9.1 9.1 ChEMBL
B1 BKRB1 Rabbit Bradykinin A pIC50 7.98 7.98 7.98 ChEMBL