MK0686


SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1
InChIKey WZZIQHIQMWJNLU-LLVKDONJSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 486.1

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 Rabbit Bradykinin A pKi 8.14 8.14 8.14 ChEMBL
B1 BKRB1 Rat Bradykinin A pKi 5.78 5.79 5.8 ChEMBL
B1 BKRB1 Human Bradykinin A pKi 8.7 9.2 9.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 8.82 8.82 8.82 ChEMBL