compound 11 [PMID: 12812482]


SMILES O=C(C[C@@H]1C(=O)Nc2c(N1S(=O)(=O)c1ccc(c(c1)Cl)Cl)cccc2)NCCc1ccc(cc1)C1=NCCN1
InChIKey HYJYRDCPGUEYND-XMMPIXPASA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 585.1

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
B1 BKRB1 Human Bradykinin A pKi 10.5 10.5 10.5 Guide to Pharmacology
B1 BKRB1 Rat Bradykinin A pKi 7.2 7.2 7.2 Guide to Pharmacology
B1 BKRB1 Human Bradykinin A pKi 9.05 10.27 10.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Rabbit Bradykinin A pIC50 9.59 9.59 9.59 ChEMBL
B1 BKRB1 Rat Bradykinin A pIC50 6.79 6.79 6.79 ChEMBL
B1 BKRB1 Human Bradykinin A pIC50 9.74 9.74 9.74 ChEMBL
B1 BKRB1 Dog Bradykinin A pIC50 7.79 7.79 7.79 ChEMBL