CHEMBL246108


SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)C)co1
InChIKey DGKQQEVYYPCMNE-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 425.2

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
CXCR1 CXCR1 Human Chemokine A pKi 8.52 8.52 8.52 ChEMBL
CXCR2 CXCR2 Human Chemokine A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR1 CXCR1 Human Chemokine A pIC50 8.14 8.14 8.14 ChEMBL
CXCR2 CXCR2 Human Chemokine A pIC50 8.89 8.89 8.89 ChEMBL