Brief Information of the Compound and Protein
Compound Name
(8S)-N-methyl-N-[[(3R)-5-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
    Show/Hide
PubChem ID
CID: 145950510
Canonical SMILES
CC(C)N1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12
    Show/Hide
Compound Formula C27H39N5
Compound Structure
Protein Name
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Chemokine receptor
>
CXC chemokine receptor
Uniprot ID
P61073
Gene Name
CXCR4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000108 CCRF-CEM Homo sapiens (Human)  2
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
2
IC50 = 16.9 nM
   TI
   LI
   LO
   TS