CHEMBL2112220


SMILES CN(C)CCCN(C)CCNC(=O)c1cccn1S(=O)(=O)c1ccc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c([N+](=O)[O-])c1
InChIKey BGSDZPMYFKKCJO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 702.3

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 Rat Bradykinin A pKi 6.75 6.75 6.75 ChEMBL
B2 BKRB2 Human 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 Rat Bradykinin A pIC50 6.85 7.79 8.72 ChEMBL
B2 BKRB2 Human Bradykinin A pIC50 7.26 7.59 7.92 ChEMBL