GSK2239633A


SMILES COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl
InChIKey YTEVTHHGQMUPHC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 548.1

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
CCR4 CCR4 Human Chemokine A pKd 6.2 6.2 6.2 ChEMBL
CCR4 CCR4 Human Chemokine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR4 CCR4 Human Chemokine A pIC50 7.83 7.83 7.83 Guide to Pharmacology
CCR5 CCR5 Human Chemokine A pIC50 5.2 5.2 5.2 Guide to Pharmacology
CCR4 CCR4 Human Chemokine A pIC50 7.4 7.62 7.83 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 5.2 5.2 5.2 ChEMBL