CHEMBL256907


SMILES Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
InChIKey GSNHKUDZZFZSJB-QUMGSSFMSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 513.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Rhesus macaque Chemokine A pKi 9.62 9.62 9.62 ChEMBL
CCR5 CCR5 Human Chemokine A pKd 7.6 7.6 7.6 ChEMBL
CCR5 CCR5 Human Chemokine A pKi 9.62 9.62 9.62 ChEMBL
CCR5 CCR5 Human Chemokine A pKd 8.12 8.12 8.12 Drug Central
CCR5 CCR5 Rhesus macaque Chemokine A pKi 8.02 8.02 8.02 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Mouse Chemokine A pIC50 8.28 8.28 8.28 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 7.59 8.77 9.7 ChEMBL
CCR5 CCR5 Human Chemokine A pEC50 9.0 9.0 9.0 ChEMBL
CCR5 CCR5 Mouse Chemokine A pIC50 8.08 8.08 8.08 Drug Central