CHEMBL428311


SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
InChIKey WNSZHTAQLGVRHC-UWXQCODUSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 7
Rotatable bonds 17
Molecular weight (Da) 845.3

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
PAR1 PAR1 Human Proteinase-activated A pKd 9.09 9.09 9.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAR1 PAR1 Human Proteinase-activated A pIC50 6.09 6.36 6.75 ChEMBL