CHEMBL441188


SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCc2cc(CN3CCCCC3)ccc21
InChIKey KWUDOKOIFMMBSB-CZNDPXEESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 567.3

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
B1 BKRB1 Human Bradykinin A pKi 8.8 8.8 8.8 ChEMBL
B2 BKRB2 Human Bradykinin A pKi 4.31 4.31 4.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 8.25 8.25 8.25 ChEMBL