CHEMBL227600


SMILES O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc21
InChIKey RWSNBZPLWHLFHV-KAYWLYCHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 605.2

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 8.26 8.26 8.26 ChEMBL
B1 BKRB1 Rat Bradykinin A pKi 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 7.71 7.71 7.71 ChEMBL
B1 BKRB1 Rabbit Bradykinin A pIC50 6.35 6.35 6.35 ChEMBL