Bioactivity Information

Brief Information of the Compound and Protein

Compound Name

Compound Info

N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine

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PubChem ID

CID: 57345320

SID: 136366761

Canonical SMILES	NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 Show/Hide
Compound Formula	C23H32N4

Compound Structure

Protein Name

Protein Info

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 Cell Line Info	Homo sapiens (Human)	4
1	EC50 > 30000 nM	TI LI LO TS
2	IC50 = 6 nM	TI LI LO TS
3	IC50 = 6.25 nM	TI LI LO TS
4	IC50 = 7 nM	TI LI LO TS
CL000064	Chem-1 Cell Line Info	Rattus norvegicus (Rat)	2
1	IC50 = 3 nM	TI LI LO TS
2	IC50 = 120 nM	TI LI LO TS
CL000026	CHO-K1 Cell Line Info	Cricetulus griseus (Chinese hamster)	1
1	IC50 = 19 nM	TI LI LO TS
CL000501	HeLa-MAGI-CCR5 Cell Line Info	Homo sapiens (Human)	1
1	IC50 = 5 nM	TI LI LO TS

Biochemical Assays