CHEMBL1253497


SMILES CCCN1C(=O)[C@H](NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)N=C(CCc2ccccc2)c2ccccc21
InChIKey VLIFIGMDNURHMV-UMSFTDKQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 601.3

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
B1 BKRB1 Rat Bradykinin A pKi 9.04 9.04 9.04 ChEMBL
B1 BKRB1 Human Bradykinin A pKi 9.23 9.23 9.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Rat Bradykinin A pIC50 8.55 8.55 8.55 ChEMBL
B1 BKRB1 Human Bradykinin A pIC50 8.72 8.72 8.72 ChEMBL