CHEMBL218540


SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCC[N+](C)(C)C)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
InChIKey YBXZHIHWNYKOOP-YTTGMZPUSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 13
Molecular weight (Da) 790.3

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
B2 BKRB2 Human Bradykinin A pKi 9.7 9.7 9.7 ChEMBL
B2 BKRB2 Human Bradykinin A pKd 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database