CHEMBL359553


SMILES O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(C2=NCCN2)cc1
InChIKey XYVOFUHXLRVWII-MUUNZHRXSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 567.2

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 Dog Bradykinin A pKi 9.3 9.3 9.3 ChEMBL
B1 BKRB1 Rabbit Bradykinin A pKi 10.3 10.3 10.3 ChEMBL
B1 BKRB1 Rat Bradykinin A pKi 7.47 7.47 7.47 ChEMBL
B1 BKRB1 Human Bradykinin A pKi 10.7 10.7 10.7 ChEMBL
B1 BKRB1 Human Bradykinin A pKd 10.82 10.82 10.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 10.4 10.4 10.4 ChEMBL