CHEMBL218636


SMILES CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(COc3cccc4c(C)cc(C)nc34)c2Cl)(C(=O)N2CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC2)CC1
InChIKey CVEVWPJOKBLXPW-HKBQPEDESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 804.3

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 9.8 9.8 9.8 ChEMBL
B2 BKRB2 Human Bradykinin A pKd 8.9 8.9 8.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database