CHEMBL115163


SMILES COc1ccc(N(C)C(=O)CNC(=O)/C=C/c2ccc(NC(C)=O)nc2)c(SC)c1COc1cccc2ccc(C)nc12
InChIKey LQLXUORFZSRSRP-LFIBNONCSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 599.2

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 9.22 9.22 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Guinea pig Bradykinin A pEC50 7.23 7.23 7.23 ChEMBL
B2 BKRB2 Guinea pig Bradykinin A pIC50 8.28 8.28 8.28 ChEMBL