AS74


SMILES CCCn1c2=N/C(=c/3\o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC
InChIKey JQHDVLXCXBJLFV-SILNSSARSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 496.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

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 Rabbit Chemokine A pIC50 4.52 4.52 4.52 ChEMBL
CCR5 CCR5 Mouse Chemokine A pIC50 9.4 9.4 9.4 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 4.47 7.04 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