CHEMBL1242210


SMILES CN1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)c(CO)n23)CC1
InChIKey QUDMHFVRKBVGBY-FQEVSTJZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 420.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Mouse Chemokine A pIC50 8.68 8.68 8.68 ChEMBL
CXCR4 CXCR4 Rat Chemokine A pIC50 8.37 8.37 8.37 ChEMBL
CXCR4 CXCR4 Human Chemokine A pIC50 7.57 8.62 9.47 ChEMBL
CXCR4 CXCR4 Rhesus macaque Chemokine A pIC50 8.11 8.11 8.11 ChEMBL