CHEMBL227870


SMILES COCCNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIKey DOOVVKGISQQLQL-CLJLJLNGSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 609.2

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 7.85 7.85 7.85 ChEMBL
B1 BKRB1 Rat Bradykinin A pKi 6.68 6.68 6.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 7.76 7.76 7.76 ChEMBL
B1 BKRB1 Rabbit Bradykinin A pIC50 5.77 5.77 5.77 ChEMBL