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

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ChEMBL ligand: CHEMBL431770 (Istradefilina, Istradefylline, KW-6002, Nourianz, Nouriast)
  • 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 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]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 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 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 5.55 pKi 2830 nM Ki J Med Chem (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Inhibition of human adenosine A1 receptor B 5.55 pKi 2830 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
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]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 Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay F 6.08 pKi 841 nM Ki Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Binding affinity to human adenosine A1 receptor by radioligand displacement assay B 6.08 pKi 841 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
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]
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 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 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 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 Antagonist activity at human adenosine 2A receptor B 7.44 pKi 36 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
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 Antagonist activity at adenosine A2A receptor (unknown origin) F 7.92 pKi 12 nM Ki Eur J Med Chem (2022) 227: 113907-113907 [PMID:34695776]
ChEMBL Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay F 7.92 pKi 12 nM Ki Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
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 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 [PMID:30108984]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane incubated for 1 hr by microplate beta scintillation counting based radioligand inhibition assay B 7.92 pKi 12 nM Ki Eur J Med Chem (2022) 241: 114620-114620 [PMID:35933788]
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 F 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 F 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]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 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 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 Binding affinity to human adenosine A2B receptor by radioligand displacement assay B 5 pKi >10000 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
ChEMBL Inhibition of human recombinant adenosine receptor A2b B 5.74 pKi 1800 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Inhibition of human adenosine 2B receptor B 5.74 pKi 1800 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity to human adenosine A3 receptor by radioligand displacement assay B 5.35 pKi 4470 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
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 B 5.35 pKi 4470 nM Ki Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729]
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 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]
GtoPdb - - 5.35 pKi 4470 nM Ki Pharmacol Rev (2011) 63: 1-34 [PMID:21303899]
ChEMBL Inhibition of human adenosine A3 receptor B 5.52 pKi >3000 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
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 [PMID:30774851]
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 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]