aplaviroc


SMILES CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O
InChIKey GWNOTCOIYUNTQP-FQLXRVMXSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 577.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations CCR5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Human Chemokine A pKi 8.5 8.5 8.5 Guide to Pharmacology
CCR5 CCR5 Human Chemokine A pKd 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Mouse Chemokine A pIC50 9.4 9.4 9.4 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 5.25 7.46 8.25 ChEMBL
CXCR4 CXCR4 Human Chemokine A pIC50 4.52 4.52 4.52 ChEMBL
CCR5 CCR5 Rat Chemokine A pIC50 4.52 4.52 4.52 ChEMBL
CCR5 CCR5 Rabbit Chemokine A pIC50 4.52 4.52 4.52 ChEMBL