CHEMBL112991


SMILES Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(F)(F)F)cc4)c3Cl)cccc2s1
InChIKey ACAUQEGNMPUJPW-MDWZMJQESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 607.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Guinea pig Bradykinin A pKi 8.55 8.55 8.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Guinea pig Bradykinin A pEC50 7.0 7.0 7.0 ChEMBL
B2 BKRB2 Guinea pig Bradykinin A pIC50 7.64 7.64 7.64 ChEMBL