RWJ-58259


SMILES NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1
InChIKey KEDDGIDZMJSBEW-PXLJZGITSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 15
Molecular weight (Da) 790.3

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 9.82 9.82 9.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAR1 PAR1 Human Proteinase-activated A pIC50 7.7 7.85 8.3 ChEMBL