tonapofylline [Ligand Id: 5605] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL414157 (BG-9928, BG9928, Tonapofylline)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
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  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
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  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
GtoPdb - - 8.13 pKi 7.4 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Binding affinity to human adenosine A1 receptor B 8.13 pKi 7.4 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [125I]ABA from human adenosine A1 receptor B 8.15 pKi 7 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Intrinsic activity at adenosine A1 receptor assessed as blockade of CPA in isolated spontaneously beating rat atria F 9.8 pKd 0.16 nM Kd J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
ChEMBL Binding affinity to rat adenosine A1 receptor B 8.89 pKi 1.3 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
GtoPdb - - 8.89 pKi 1.3 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex B 9 pKi 1 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
GtoPdb - - 5.19 pKi 6410 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Binding affinity to human adenosine A2A receptor B 5.19 pKi 6410 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [125I]ZM-241385 from human adenosine A2A receptor B 5.19 pKi 6400 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
GtoPdb - - 5.61 pKi 2440 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Binding affinity to rat adenosine A2A receptor B 5.61 pKi 2440 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Displacement of [125I]3-(4-aminobenzyl)-8-phenyloxyacetate-1-propyl-xanthine from human adenosine A2B receptor B 7.05 pKi 90 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
ChEMBL Binding affinity to human adenosine A2B receptor B 7.05 pKi 90 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
GtoPdb - - 7.05 pKi 90 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
GtoPdb - - 5 pKi >10000 nM Ki J Med Chem (2006) 49: 7119-31 [PMID:17125264]
ChEMBL Displacement of [125I]ABA from human adenosine A3 receptor B 5 pKi >10000 nM Ki J Med Chem (2006) 49: 7132-7139 [PMID:17125265]
ChEMBL Binding affinity to human adenosine A3 receptor B 5 pKi 10000 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]