istradefylline [Ligand Id: 5608] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL431770 (Istradefylline, KW-6002, Nourianz)
  • 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]
ChEMBL Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 30 mins by scintillation counting B 5.52 pKi 3000 nM Ki J. Med. Chem. (2011) 54: 751-764 [PMID:21210664]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting B 5.52 pKi 3000 nM Ki Bioorg. Med. Chem. Lett. (2010) 20: 5241-5244 [PMID:20659802]
ChEMBL Antagonist activity at human adenosine A1 receptor B 5.52 pKi 3000 nM Ki Bioorg. Med. Chem. Lett. (2015) 25: 1212-1216 [PMID:25701253]
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells B 5.55 pKi 2830 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Inhibition of human recombinant adenosine A1 receptor B 5.55 pKi 2830 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells B 5.68 pKi 2070 nM Ki Eur. J. Med. Chem. (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX B 6 pKi >1000 nM Ki J. Med. Chem. (2005) 48: 6887-6896 [PMID:16250647]
ChEMBL Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells B 6.08 pKi 841 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis B 6.08 pKi 841 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay B 6.08 pKi 841 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 60 mins by scintillation counting analysis B 6.08 pKi 841 nM Ki Bioorg. Med. Chem. (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to human adenosine A1 receptor by radioligand displacement assay B 6.08 pKi 841 nM Ki MedChemComm (2018) 9: 951-962
GtoPdb - - 6.08 pKi 841 nM Ki Pharmacol Rev (2011) 63: 1-34 [PMID:21303899]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes B 6.24 pKi 580 nM Ki Bioorg. Med. Chem. Lett. (1997) 7: 2349-2352
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane B 6.64 pKi 230 nM Ki Bioorg. Med. Chem. (2007) 15: 6956-6974 [PMID:17827019]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane B 6.64 pKi 230 nM Ki Bioorg. Med. Chem. (2007) 15: 5003-5017 [PMID:17499511]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane B 6.64 pKi 230 nM Ki Eur. J. Med. Chem. (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis B 6.64 pKi 230 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain after 60 mins by scintillation counting analysis B 6.64 pKi 230 nM Ki Bioorg. Med. Chem. (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in Lister hooded rat brain membranes B 6.64 pKi 230 nM Ki Bioorg. Med. Chem. (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes B 6.64 pKi 230 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
GtoPdb - - 6.64 pKi 230 nM Ki Pharmacol Rev (2011) 63: 1-34 [PMID:21303899]
ChEMBL Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light) B 6.82 pKi 150 nM Ki Bioorg. Med. Chem. Lett. (1997) 7: 2349-2352
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method B 5.9 pKd 1258.93 nM Kd J. Med. Chem. (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method B 6.7 pKi 199.53 nM Ki J. Med. Chem. (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells B 7.04 pKi 91.2 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis B 7.04 pKi 91.2 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells B 7.04 pKi 90.8 nM Ki Eur. J. Med. Chem. (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Antagonist activity at human adenosine A2A receptor B 7.14 pKi 72 nM Ki Bioorg. Med. Chem. Lett. (2015) 25: 1212-1216 [PMID:25701253]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting B 7.14 pKi 72 nM Ki Bioorg. Med. Chem. Lett. (2010) 20: 5241-5244 [PMID:20659802]
ChEMBL Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting B 7.14 pKi 72 nM Ki J. Med. Chem. (2011) 54: 751-764 [PMID:21210664]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis B 7.32 pKi 47.4 nM Ki J. Med. Chem. (2013) 56: 1247-1261 [PMID:23281824]
ChEMBL Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells B 7.44 pKi 36 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor B 7.44 pKi 36 nM Ki Bioorg. Med. Chem. Lett. (2009) 19: 2664-2667 [PMID:19362836]
GtoPdb - - 7.92 pKi 12 nM Ki J Med Chem (2007) 50: 828-34 [PMID:17300165];
Pharmacol Rev (2011) 63: 1-34 [PMID:21303899]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counting analysis B 7.92 pKi 12 nM Ki Bioorg. Med. Chem. (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Inhibition of human recombinant adenosine receptor A2a F 7.92 pKi 12 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay B 7.92 pKi 12 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Antagonist activity at adenosine A2A receptor (unknown origin) F 7.92 pKi 12 nM Ki Eur J Med Chem (2018) 144: 151-163 [PMID:29268131]
ChEMBL Binding affinity to human adenosine A2A receptor by radioligand displacement assay B 7.92 pKi 12 nM Ki MedChemComm (2018) 9: 951-962
ChEMBL Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells B 8.22 pKi 6 nM Ki J. Med. Chem. (2008) 51: 400-406 [PMID:18189346]
ChEMBL Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680 B 8.66 pKi 2.2 nM Ki J. Med. Chem. (2005) 48: 6887-6896 [PMID:16250647]
ChEMBL Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 60 mins B 5.28 pIC50 5250 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 60 mins B 5.28 pIC50 5248.07 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 3427-3433 [PMID:23602401]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]NECA (+CPA) displacement. B 7.89 pKi 13 nM Ki Bioorg. Med. Chem. Lett. (1997) 7: 2349-2352
ChEMBL Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane B 8.29 pKi 5.15 nM Ki Eur. J. Med. Chem. (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane B 8.29 pKi 5.15 nM Ki Bioorg. Med. Chem. (2007) 15: 5003-5017 [PMID:17499511]
ChEMBL Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane B 8.3 pKi 5.01 nM Ki Bioorg. Med. Chem. (2007) 15: 6956-6974 [PMID:17827019]
ChEMBL Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting B 8.35 pKi 4.46 nM Ki Bioorg. Med. Chem. (2008) 16: 8676-8684 [PMID:18723354]
ChEMBL Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain after 60 mins by scintillation counting analysis B 8.35 pKi 4.46 nM Ki Bioorg. Med. Chem. (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [3H]CCPA from rat adenosine A2a receptor B 8.36 pKi 4.4 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Displacement of [3H]-CGS- 21680 from Adenosine A2a receptor of rat forebrain membranes (shielded from light) B 8.66 pKi 2.2 nM Ki Bioorg. Med. Chem. Lett. (1997) 7: 2349-2352
ChEMBL Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes B 8.66 pKi 2.2 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Displacement of [3H]-ZM241385 from Adenosine A2A receptor in Lister hooded rat brain membranes B 8.66 pKi 2.2 nM Ki Bioorg. Med. Chem. (2015) 23: 6641-6649 [PMID:26392370]
GtoPdb - - 8.66 pKi 2.2 nM Ki Bioorg Med Chem Lett (1997) : 2349-2352;
Bioorg Med Chem (2008) 16: 8676-84 [PMID:18723354]
ChEMBL Displacement of [3H]ZM241385 from rat recombinant adenosine A2A receptor expressed in CHO cells B 8.7 pKi 2 nM Ki J. Med. Chem. (2008) 51: 400-406 [PMID:18189346]
ChEMBL Antagonist activity at adenosine A2A receptor in 5-HT-treated Wistar rat femoral vein assessed as inhibition of 2-octyn-1-yladenosine-induced vasodilation incubated for 10 mins prior to addition of 5-HT B 6.64 pIC50 228 nM IC50 Bioorg. Med. Chem. (2014) 22: 3072-3082 [PMID:24815000]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 5 pKi >10000 nM Ki Pharmacol Rev (2011) 63: 1-34 [PMID:21303899]
ChEMBL Displacement of [3H]PSB-298 from human recombinant adenosine A2B receptor expressed in CHO cells B 5 pKi >=10000 nM Ki Eur. J. Med. Chem. (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analysis B 5 pKi >10000 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Binding affinity to human adenosine A2B receptor B 5 pKi >10000 nM Ki Bioorg. Med. Chem. (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to human adenosine A2B receptor by radioligand displacement assay B 5 pKi >10000 nM Ki MedChemComm (2018) 9: 951-962
ChEMBL Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells B 5 pKi >10000 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Inhibition of human recombinant adenosine receptor A2b B 5.74 pKi 1800 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by scintillation counting analysis B 5.35 pKi 4470 nM Ki Bioorg. Med. Chem. (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to human adenosine A3 receptor by radioligand displacement assay B 5.35 pKi 4470 nM Ki MedChemComm (2018) 9: 951-962
ChEMBL Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells B 5.35 pKi 4470 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis B 5.35 pKi 4470 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells B 5.35 pKi 4470 nM Ki Eur. J. Med. Chem. (2011) 46: 3590-3607 [PMID:21664729]
GtoPdb - - 5.35 pKi 4470 nM Ki Pharmacol Rev (2011) 63: 1-34 [PMID:21303899]
ChEMBL Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells B 5.52 pKi >3000 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Inhibition of human recombinant adenosine A3 receptor B 5.52 pKi >3000 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Inhibition of human MAOB B 7.57 pKi 27 nM Ki MedChemComm (2019) 10: 10-25
ChEMBL Inhibition of human MAOB after 1 hr by luminescence assay B 5 pIC50 >10000 nM IC50 J. Med. Chem. (2013) 56: 1247-1261 [PMID:23281824]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]