CHEMBL1777887


SMILES O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21
InChIKey IVTMMMPCGZQPLK-DCWQJPKNSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 592.2

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 Human Bradykinin A pKi 9.34 9.34 9.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pIC50 8.75 8.75 8.75 ChEMBL