RWJ-54003


SMILES COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCc2ccccc2)cc1
InChIKey BCXNFSKGOXTNLM-YDAXCOIMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 7
Rotatable bonds 18
Molecular weight (Da) 839.3

Drug properties

Molecular type Small molecule
Endogenous/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 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAR1 PAR1 Human Proteinase-activated A pIC50 5.89 6.15 6.52 ChEMBL