CHEMBL402831


SMILES Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c2)no1
InChIKey RVBQIDXHOLKEKQ-LILOVNGRSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 490.1

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 Dog Bradykinin A pKi 6.69 6.69 6.69 ChEMBL
B1 BKRB1 Rabbit Bradykinin A pKi 7.89 7.89 7.89 ChEMBL
B1 BKRB1 Rat Bradykinin A pKi 8.66 8.66 8.66 ChEMBL
B1 BKRB1 Human Bradykinin A pKi 8.73 9.07 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 8.35 8.35 8.35 ChEMBL