Brief Information of the Compound and Protein
Compound Name
(1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4phenylpiperazine)
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PubChem ID
CID: 5312126
SID: 15435120
Canonical SMILES
CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12
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Compound Formula C38H35N5O6S2
Compound Structure
Protein Name
P2X purinoceptor 7
Protein Classification
Ion channel
>
Ligand-gated ion channel
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P2X receptor
Uniprot ID
Q99572
Gene Name
P2RX7
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  6
1
IC50 = 110 nM
   TI
   LI
   LO
   TS
2
IC50 = 158 nM
   TI
   LI
   LO
   TS
3
IC50 = 175 nM
   TI
   LI
   LO
   TS
4
IC50 = 250 nM
   TI
   LI
   LO
   TS
5
IC50 = 280 nM
   TI
   LI
   LO
   TS
6
IC50 = 340 nM
   TI
   LI
   LO
   TS
CL000040 THP-1 Homo sapiens (Human)  3
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
2
IC50 = 129 nM
   TI
   LI
   LO
   TS
3
IC50 = 130 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13.4 nM
2 IC50 = 51 nM
3 IC50 = 94.4 nM
4 IC50 = 100 nM
5 IC50 = 210 nM