CHEMBL221998


SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)Nc2nccc(Cl)c2NC(=O)CC#N)cc1
InChIKey ALKZGOAMUXQFJR-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 482.1

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 8.96 8.96 8.96 ChEMBL
B1 BKRB1 Human Bradykinin A pKi 9.15 9.15 9.15 ChEMBL
B1 BKRB1 Rat Bradykinin A pKi 7.45 7.45 7.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Rabbit Bradykinin A pIC50 8.14 8.14 8.14 ChEMBL
B1 BKRB1 Human Bradykinin A pIC50 9.07 9.07 9.07 ChEMBL