CHEMBL2431727


SMILES NCCCC[C@H](NC(=O)CNC(=O)Nc1ccc2c(c1)c(CN1CCCC1)cn2Cc1c(Cl)cccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChIKey ADEQJSQZZXWZPW-GSVOJQHPSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 20
Molecular weight (Da) 914.4

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
PAR2 PAR2 Human Proteinase-activated A pKi 6.22 6.22 6.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAR2 PAR2 Human Proteinase-activated A pIC50 5.96 5.96 5.96 ChEMBL