CHEMBL274737


SMILES CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
InChIKey NPKHWEBWIFDKHH-LLVKDONJSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 361.1

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
CX3CR1 CX3C1 Human Chemokine A pKi 6.11 6.11 6.11 ChEMBL
CXCR2 CXCR2 Human Chemokine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR2 CXCR2 Human Chemokine A pIC50 6.92 6.92 6.92 ChEMBL