CHEMBL403225


SMILES C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2[nH]c(=O)sc12
InChIKey KHTUORKUWBDRBX-SSDOTTSWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 400.0

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
CXCR2 CXCR2 Human Chemokine A pKd 8.7 8.7 8.7 ChEMBL
CXCR2 CXCR2 Human Chemokine A pKi 8.32 8.32 8.32 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.08 5.08 5.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CX3CR1 CX3C1 Human Chemokine A pEC50 6.51 6.51 6.51 ChEMBL
CXCR2 CXCR2 Human Chemokine A pIC50 9.0 9.0 9.0 ChEMBL