BERLEX COMPOUND


SMILES N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIKey MEEJEEVTIVAOJP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 444.2

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
CCR1 CCR1 Human Chemokine A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Mouse Chemokine A pIC50 5.3 5.3 5.3 ChEMBL
US28 US28 strain AD169 Unclassified A pIC50 5.03 5.03 5.03 ChEMBL
US28 US28 strain AD169 Unclassified A pEC50 5.34 5.4 5.5 ChEMBL
CCR3 CCR3 Human Chemokine A pIC50 5.05 5.05 5.05 ChEMBL
CCR1 CCR1 Human Chemokine A pIC50 5.6 6.37 7.32 ChEMBL