Brief Information of the Compound and Protein
Compound Name
(4aR,10bS)-1-[[(3R)-5-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
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PubChem ID
CID: 135313730
Canonical SMILES
CN1CCN(CC1)c1cccc2CN[C@@H](CN3CCC[C@H]4CCc5cccnc5[C@@H]34)Cc12
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Compound Formula C27H37N5
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 = 25.2 nM
   TI
   LI
   LO
   TS