CHEMBL387638


SMILES C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1
InChIKey OMBKLIDWTOUDSR-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 490.1

Drug properties

Molecular type Small molecule
Endogenous/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 8.52 8.52 8.52 ChEMBL
B1 BKRB1 Rat Bradykinin A pKi 6.92 6.92 6.92 ChEMBL
B1 BKRB1 Human Bradykinin A pKi 9.3 9.3 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Rabbit Bradykinin A pIC50 8.41 8.41 8.41 ChEMBL
B1 BKRB1 Human Bradykinin A pIC50 8.93 8.93 8.93 ChEMBL