CHEMBL114915


SMILES COc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(SC)c(COc3cccc4ccc(C)nc34)c2SC)cc1
InChIKey YMXBZVMREZEHOV-LDADJPATSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 587.2

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
B2 BKRB2 Guinea pig Bradykinin A pKi 8.2 8.2 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Guinea pig Bradykinin A pIC50 7.25 7.25 7.25 ChEMBL
B2 BKRB2 Guinea pig Bradykinin A pEC50 6.18 6.18 6.18 ChEMBL