CHEMBL2112283


SMILES CN(C)CCCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=O)NC2c3ccccc3CCc3ccccc32)c([N+](=O)[O-])c1
InChIKey NSKPGTTUWOXHBF-HKBQPEDESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 706.3

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 7.97 7.97 7.97 ChEMBL
B2 BKRB2 Human Bradykinin A pKi 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B2 BKRB2 Rat Bradykinin A pIC50 6.98 7.8 8.62 ChEMBL
B2 BKRB2 Human Bradykinin A pIC50 7.04 7.4 7.77 ChEMBL