CHEMBL1683074


SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1
InChIKey DQWSENNLMPJNRJ-WHLIWEHUSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 498.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR2 CCR2 Rat Chemokine A pIC50 8.54 8.54 8.54 ChEMBL
CCR5 CCR5 Mouse Chemokine A pIC50 7.15 7.15 7.15 ChEMBL
CCR2 CCR2 Mouse Chemokine A pIC50 8.55 8.55 8.55 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 8.41 8.48 8.52 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 8.28 8.32 8.37 ChEMBL