CHEMBL4783861


SMILES N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIKey FKIPEBVDUWFIIM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 589.0

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
CCR2 CCR2 Human Chemokine A pKi 8.4 8.74 9.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Human Chemokine A pIC50 5.3 5.3 5.3 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 7.48 8.16 8.8 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 5.4 5.4 5.4 ChEMBL