| Adenosine A1 receptor |
Ki |
= |
1.5 |
nM |
Tested for inhibition of adenosine A1 receptor binding to rat brain |
CHEMBL1126992 |
| Adenosine A2 receptor |
Ki |
= |
667.0 |
nM |
Tested for inhibition of adenosine A2 receptor binding to rat brain |
CHEMBL1126992 |
| No relevant target |
LogP |
= |
2.07 |
|
Partition coefficient (logP) |
CHEMBL1126992 |
| Adenosine A1 receptor |
Ki |
= |
1.3 |
nM |
Binding affinity against adenosine A1 receptor from rat brain using [3H]CHA as a radioligand. |
CHEMBL1128307 |
| Adenosine A2a receptor |
Ki |
= |
650.0 |
nM |
Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand. |
CHEMBL1128307 |
| Adenosine A1 receptor |
EC50 |
= |
8200.0 |
nM |
Functional activity against adenosine A1 receptor from rat atria. |
CHEMBL1128307 |
| Adenosine A2a receptor |
EC50 |
> |
10.0 |
nM |
Functional activity against adenosine A2a receptor from rat aorta. |
CHEMBL1128307 |
| Adenosine A2a receptor |
Potency ratio |
= |
0.003 |
|
Anti-aggregatory activity against adenosine A2A receptor from rabbit platelets. Potency ratio was reported with reference to the NECA IC50 of 0.2 uM. |
CHEMBL1128307 |
| ADMET |
k' |
= |
2.76 |
|
Hydrophobicity index (k'') (RP-HPLC pH 7.5) |
CHEMBL1128307 |
| Adenosine receptors; A1 & A2a |
Selectivity |
= |
0.002 |
|
Selectivity as the ratio of Ki value towards A1 receptor to that of A2a receptor. |
CHEMBL1128307 |
| Adenosine A2a receptor |
Ki |
= |
17.0 |
nM |
In vitro inhibition of human neutrophil activation via Adenosine A2A receptor. |
CHEMBL1133401 |
| Adenosine A1 receptor |
Ki |
= |
1.0 |
nM |
Ex vivo inhibition of guinea pig ileum twitch via Adenosine A1 receptor. |
CHEMBL1133401 |
| Adenosine A1 receptor |
Ki |
= |
6.4 |
nM |
In vitro binding affinity towards human adenosine A1 receptor by [3H]DPCPX displacement. |
CHEMBL1136764 |
| Adenosine A2a receptor |
Ki |
= |
639.0 |
nM |
Tested for binding affinity towards human adenosine A2A receptor using [3H]ZM-241385 as radioligand |
CHEMBL1136764 |
| Adenosine A3 receptor |
Ki |
= |
281.0 |
nM |
Inhibition of [125 I]-IABMECA binding to human adenosine A3 receptor |
CHEMBL1136764 |
| Adenosine A1 receptor |
Relative potency |
= |
0.4 |
|
Relative potency for human adenosine A1 receptor (Ki value) |
CHEMBL1136764 |
| Adenosine A2a receptor |
Relative potency |
= |
0.3 |
|
Relative potency for human adenosine A2A receptor (Ki value) |
CHEMBL1136764 |
| Adenosine A3 receptor |
Relative potency |
= |
2.1 |
|
Relative potency for human adenosine A3 receptor (Ki value) |
CHEMBL1136764 |
| Adenosine receptors; A1 & A2a |
Selectivity |
= |
100.0 |
|
Selectivity for adenosine A1 and A2A receptors |
CHEMBL1136764 |
| Adenosine receptors; A1 & A3 |
Selectivity |
= |
44.0 |
|
Selectivity for adenosine A1 and A3 receptors |
CHEMBL1136764 |
| Adenosine A1 receptor |
IC50 |
= |
1.3 |
nM |
Inhibition of cAMP formation in CHO cells expressing adenosine A1 receptor |
CHEMBL1136764 |
| Adenosine A1 receptor |
Ki |
= |
7.43 |
nM |
Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes. |
CHEMBL1133444 |
| Adenosine A2a receptor |
Ki |
= |
640.0 |
nM |
Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes. |
CHEMBL1133444 |
| Adenosine A1 receptor |
EC50 |
= |
30.0 |
nM |
Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation |
CHEMBL1133444 |
| Adenosine A1 receptor |
RIA |
= |
100.0 |
% |
Percent relative intrinsic activity compared to CCPA |
CHEMBL1133444 |
| Adenosine receptors; A1 & A2a |
Selectivity |
= |
86.0 |
|
Selectivity ratio of Ki of the adenosine A2a receptor and Ki of adenosine A1 receptor |
CHEMBL1133444 |
| Adenosine A1 receptor |
Ki |
= |
0.6 |
nM |
Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes |
CHEMBL1127377 |
| Adenosine A2a receptor |
Ki |
= |
950.0 |
nM |
Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes |
CHEMBL1127377 |
| Adenosine A3 receptor |
Ki |
= |
237.0 |
nM |
Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO cells transfected with rat A3-cDNA |
CHEMBL1127377 |
| Adenosine receptors; A1 & A3 |
Ratio |
= |
0.0025 |
|
Ratio of Ki for A1 and A3 receptors |
CHEMBL1127377 |
| Adenosine receptor A2a and A3 |
Ratio |
= |
4.0 |
|
Ratio of Ki for A2a and A3 receptors |
CHEMBL1127377 |
| Adenosine A1 receptor |
Ki |
= |
1.33 |
nM |
Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor |
CHEMBL1133730 |
| Adenosine A2a receptor |
Ki |
= |
605.0 |
nM |
Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes |
CHEMBL1133730 |
| Adenosine A2b receptor |
Ki |
= |
20400.0 |
nM |
Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells |
CHEMBL1133730 |
| Adenosine A3 receptor |
Ki |
= |
237.0 |
nM |
Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in HEK cells |
CHEMBL1133730 |
| Adenosine receptors; A1 & A3 |
Ratio |
= |
0.0056 |
|
Relative binding affinity for Adenosine A1 and A3 receptors |
CHEMBL1133730 |
| Adenosine A1 receptor |
Ki |
= |
0.83 |
nM |
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
CHEMBL1147632 |
| Adenosine A2a receptor |
Ki |
= |
2270.0 |
nM |
Displacement of [3H]NECA from human adenosine A2A receptor in stably transfected CHO cells |
CHEMBL1147632 |
| Adenosine A3 receptor |
Ki |
= |
42.3 |
nM |
Displacement of [3H]NECA from human adenosine A3 receptor in stably transfected HEK cells |
CHEMBL1147632 |
| Adenosine receptors; A1 & A2a |
Ratio |
= |
2730.0 |
|
Ratio of binding affinity for adenosine A2A receptor to adenosine A1 receptor |
CHEMBL1147632 |
| Adenosine receptors; A1 & A3 |
Ratio |
= |
50.0 |
|
Ratio of binding affinity for adenosine A3 receptor to adenosine A1 receptor |
CHEMBL1147632 |
| Adenosine A2b receptor |
Potency |
< |
20.0 |
% |
Potency NECA-induced signal mediated by human A2B receptor in CHO cells at 100 uM |
CHEMBL1147632 |
| Adenosine A1 receptor |
Ki |
= |
0.6 |
nM |
Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand |
CHEMBL1125572 |
| Adenosine A2 receptor |
Ratio |
= |
950.0 |
nM |
Binding affinity against adenosine A2 receptor using [3H]- NECA as radioligand |
CHEMBL1125572 |
| Adenosine receptors; A1 & A2 |
Ratio |
= |
1500.0 |
|
Ratio of A2 to A1. |
CHEMBL1125572 |
| Adenosine A1 receptor |
Ki |
= |
0.35 |
nM |
Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes. |
CHEMBL1131221 |
| Adenosine A2a receptor |
Ki |
= |
580.0 |
nM |
Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes. |
CHEMBL1131221 |
| Adenosine A3 receptor |
Ki |
= |
30.0 |
nM |
Inhibitory activity against Adenosine A3 receptor by inhibiting specific [3H](R)-PIA binding to rat testis membranes |
CHEMBL1131221 |
| Unchecked |
Selectivity |
= |
1657.0 |
|
Inhibitory selectivity at Adenosine 2A receptor compared to Adenosine 1 receptor. |
CHEMBL1131221 |
| Unchecked |
Selectivity |
= |
86.6 |
|
Inhibitory selectivity at Adenosine A3 receptor compared to Adenosine 1 receptor. |
CHEMBL1131221 |
| Unchecked |
Selectivity |
= |
0.05 |
|
Inhibitory selectivity at Adenosine A3 receptor compared to Adenosine 2A receptor. |
CHEMBL1131221 |
| Adenosine A3 receptor |
Efficacy |
= |
0.0 |
% |
Percent efficacy against human Adenosine A3 receptor expressed in CHO cell |
CHEMBL1135592 |
| Adenosine A3 receptor |
Ki |
= |
38.0 |
nM |
Affinity for human Adenosine A3 receptor expressed in CHO cell |
CHEMBL1135592 |
| Adenosine A3 receptor |
Ki |
= |
38.0 |
nM |
Bnding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[2,1-i]-purin-5-one as radioligand |
CHEMBL1135592 |
| Adenosine A3 receptor |
Ki |
= |
34.0 |
nM |
Binding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor in the presence of GTPgammaS using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-tetrahydro-1H-imidazo[2,1-i]-purin-5-one as radioligand |
CHEMBL1135592 |
| Adenosine A3 receptor |
Ki |
= |
114.0 |
nM |
Binding affinity towards human Adenosine A3 receptor wild type |
CHEMBL1135592 |
| Adenosine A3 receptor |
Ki |
= |
796.0 |
nM |
Binding affinity towards Adenosine A3 receptor (H95A mutant receptor) |
CHEMBL1135592 |
| Adenosine A3 receptor |
Ki |
= |
100.0 |
nM |
Binding affinity towards Adenosine A3 receptor (W243 mutant receptor) |
CHEMBL1135592 |
| Adenosine A1 receptor |
Ki |
= |
1.3 |
nM |
Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand |
CHEMBL1127534 |
| Adenosine A2 receptor |
Ki |
= |
650.0 |
nM |
Affinity for the adenosine A2 receptor was evaluated in a competition assay in rat striatum using [3H]-CGS- 21680 as radioligand |
CHEMBL1127534 |
| Adenosine A1 receptor |
EC50 |
= |
8.2 |
nM |
Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria |
CHEMBL1127534 |
| Adenosine A2 receptor |
EC50 |
> |
10000.0 |
nM |
Negative chronotropic activity via A2 Adenosine receptor was tested monitoring vasodilation in rat aorta |
CHEMBL1127534 |
| Adenosine A2a receptor |
Ratio |
= |
0.003 |
|
Inhibition compared to inhibition by NECA (IC50 ratio) of rabbit platelet aggregation induced by ADP |
CHEMBL1127534 |
| Adenosine receptors; A1 & A2 |
Selectivity |
= |
0.002 |
|
Ratio between Ki values of A1 and A2 receptors was determined |
CHEMBL1127534 |
| ADMET |
k' |
= |
2.76 |
|
Hydrophobicity index (k') (RP-HPLC) |
CHEMBL1127534 |
| Adenosine A1 receptor |
Ki |
= |
1.3 |
nM |
Displacement of [3H]CHA from Adenosine A1 receptor of rat brain |
CHEMBL1128544 |
| Adenosine A2a receptor |
Ki |
= |
650.0 |
nM |
Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatum |
CHEMBL1128544 |
| Adenosine receptors; A1 & A2a |
Selectivity |
= |
0.002 |
|
Relative affinities for rat adenosine A1 and A2a receptors |
CHEMBL1128544 |
| Adenosine A1 receptor |
EC50 |
= |
8.2 |
nM |
Activity at Adenosine A1 receptor of rat atria |
CHEMBL1128544 |
| Adenosine A2a receptor |
EC50 |
> |
10000.0 |
nM |
Functional activity at Adenosine A2A receptor as vasorelaxation of rat aorta |
CHEMBL1128544 |
| Adenosine A1 receptor |
Ki |
= |
0.6 |
nM |
Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor |
CHEMBL1125222 |
| Adenosine A2 receptor |
Ki |
= |
950.0 |
nM |
Inhibition of [3H]- NECA binding to adenosine receptor A2 |
CHEMBL1125222 |
| Unchecked |
IC50 |
= |
730.0 |
nM |
Effective concentration against A2AR mediated P12 adenylatencyclase activity |
CHEMBL1125222 |
| Adenosine receptors; A1 & A2a |
Ratio |
= |
1500.0 |
|
Ratio of binding potencies at adenosine A2AR and AIAR receptors |
CHEMBL1125222 |
| ADMET |
No. of cells |
= |
5.4 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 1 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
10.4 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 10 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
9.6 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 30 uM |
CHEMBL1130967 |
| ADMET |
No. of cells |
= |
11.0 |
% |
Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 60 uM |
CHEMBL1130967 |
| Adenosine A1 receptor |
Ki |
= |
9.47 |
nM |
Affinity towards adenosine A1 receptor from rat cortical membranes using [3H]DPCPX |
CHEMBL1134582 |
| Adenosine A2a receptor |
Displacement |
= |
53.1 |
% |
Affinity towards Adenosine A2A receptor from rat striatal membranes using [3H]-ZM 241385 radioligand |
CHEMBL1134582 |
| Adenosine A3 receptor |
Ki |
= |
204.0 |
nM |
Affinity towards Adenosine A3 receptor expressed in HEK 293 cells using [125I]AB-MECA radioligand |
CHEMBL1134582 |
| Adenosine A1 receptor |
Ki |
= |
0.83 |
nM |
Displacement of [3H]R-PIA or [3H]CGS 21680 from human adenosine A1 receptor in CHO cells |
CHEMBL1140427 |
| Adenosine A2a receptor |
Ki |
= |
2270.0 |
nM |
Displacement of [3H]R-PIA or [3H]CGS 21680 from human adenosine A2A receptor in CHO cells |
CHEMBL1140427 |
| Adenosine A3 receptor |
Ki |
= |
38.0 |
nM |
Binding affinity to human adenosine A3 receptor in CHO cells |
CHEMBL1140427 |
| Adenosine A3 receptor |
Ki |
= |
237.0 |
nM |
Binding affinity to rat adenosine A3 receptor in CHO cells |
CHEMBL1140427 |
| Adenosine A3 receptor |
Activity |
= |
0.0 |
% |
Maximal agonist effect at human adenosine A3 receptor in CHO cells at 10 uM by the inhibition of forskolin-stimulated cAMP production |
CHEMBL1140427 |
| Adenosine A1 receptor |
Ki |
= |
0.34 |
nM |
Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane |
CHEMBL1140761 |
| A1 adenosine receptor |
Ki |
= |
0.3 |
nM |
Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane |
CHEMBL1140761 |
| Adenosine A1 receptor |
Ki |
= |
730.0 |
nM |
Displacement of [3H]CGS21680 from adenosine A1 receptor in bovine striatum membrane |
CHEMBL1140761 |
| Adenosine A1 receptor |
Ki |
= |
0.8 |
nM |
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells |
CHEMBL1140761 |
| Adenosine A2a receptor |
Ki |
= |
2300.0 |
nM |
Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells |
CHEMBL1140761 |
| Adenosine A3 receptor |
Ki |
= |
18800.0 |
nM |
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells |
CHEMBL1140761 |
| Adenosine A2b receptor |
Ki |
= |
42.0 |
nM |
Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity |
CHEMBL1140761 |
| Unchecked |
Ratio Ki |
= |
2875.0 |
|
Selectivity for human adenosine A1 receptor over human adenosine A2A receptor |
CHEMBL1140761 |
| Adenosine receptors; A1 & A3 |
Ratio Ki |
= |
53.0 |
|
Selectivity for human adenosine A1 receptor over human adenosine A3 receptor |
CHEMBL1140761 |
| Unchecked |
Ratio Ki |
= |
55.0 |
|
Selectivity for human adenosine A3 receptor over human adenosine A2A receptor |
CHEMBL1140761 |
| A1 adenosine receptor |
Ki |
= |
650.0 |
nM |
Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane |
CHEMBL1140761 |
| Adenosine A1 receptor |
Ki |
= |
15.1 |
nM |
Binding affinity to human adenosine A1 receptor expressed in CHO cells |
CHEMBL1140063 |
| K562 |
GI50 |
> |
250000.0 |
nM |
Antitumor activity against human K562 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| Caco-2 |
GI50 |
> |
250000.0 |
nM |
Antitumor activity against human CaCo2 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| HT-29 |
GI50 |
> |
250000.0 |
nM |
Antitumor activity against human HT29 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| MCF7 |
GI50 |
> |
250000.0 |
nM |
Antitumor activity against human MCF7 cells after 48 hrs by MTS assay |
CHEMBL1155110 |
| Unchecked |
Ratio Ki |
> |
100.0 |
|
Selectivity ratio of Ki for human A2BR to Ki for human A1AR |
CHEMBL2163273 |
| Unchecked |
Ratio Ki |
> |
100.0 |
|
Selectivity ratio of Ki for human A2AR to Ki for human A1AR |
CHEMBL2163273 |
| Adenosine A1 receptor |
EC50 |
= |
4.6 |
nM |
Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 10 mins by luciferase reporter assay |
CHEMBL2163273 |
| Adenosine A1 receptor |
EC50 |
= |
14.0 |
nM |
Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of isoproterenol-induced cAMP accumulation incubated for 10 mins by luciferase reporter assay |
CHEMBL2163273 |
| Mus musculus |
Activity |
|
|
|
Anticonvulsant activity in CF-1 albino mouse assessed as protection against subcutaneous metrazol-induced seizures at 1 mg/kg, ip |
CHEMBL2169760 |
| Mus musculus |
Activity |
|
|
|
Anticonvulsant activity in CF-1 albino mouse assessed as protection against subcutaneous metrazol-induced seizures at 3 mg/kg, ip |
CHEMBL2169760 |
| Mus musculus |
Activity |
|
|
|
Anticonvulsant activity in CF-1 albino mouse assessed as protection against maximal electroshock-induced seizures at 2 mg/kg, ip by MES test |
CHEMBL2169760 |
| Mus musculus |
Activity |
|
|
|
Anticonvulsant activity in CF-1 albino mouse assessed as protection against maximal electroshock-induced seizures at 1 mg/kg, ip by MES test |
CHEMBL2169760 |
| Mus musculus |
Activity |
|
|
|
Anticonvulsant activity in CF-1 albino mouse assessed as protection against maximal electroshock-induced seizures at 3 mg/kg, ip by MES test |
CHEMBL2169760 |
| Mus musculus |
ED50 |
= |
0.12 |
mg.kg-1 |
Anticonvulsant activity in ip dosed CF-1 albino mouse assessed as protection against 6 Hz psychomotor seizure after 1 hr by minimal clonic seizure test |
CHEMBL2169760 |
| Mus musculus |
TD50 |
= |
0.84 |
mg kg-1 |
Toxicity in ip dosed CF-1 albino mouse assessed as behavioral changes after 1 hr by rotarod test |
CHEMBL2169760 |
| Adenosine A1 receptor |
Inhibition |
|
|
% |
Activity at human A1 adenosine receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production at 10 uM after 30 min |
CHEMBL2169760 |
| Adenosine A2a receptor |
Ki |
= |
2270.0 |
nM |
Displacement of [3H]CGS21680 from human A2a adenosine receptor expressed in HEK293 cells after 60 min by Perkin Elmer Liquid Scintillation Analyzer |
CHEMBL2169760 |
| Adenosine A1 receptor |
Ki |
= |
15.3 |
nM |
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins |
CHEMBL2169819 |
| Adenosine A1 receptor |
Bmax |
= |
527.0 |
fmol |
Binding affinity to human adenosine A1 receptor expressed in CHO cells assessed per mg of protein after 90 mins |
CHEMBL2169819 |
| Adenosine A1 receptor |
Emax |
= |
74.0 |
% |
Agonist activity at mouse adenosine A1 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP production preincubated for 30 mins prior to forskolin-treatment measured after 15 mins by ELISA relative to control |
CHEMBL2401698 |
| Adenosine A1 receptor |
EC50 |
= |
17.7 |
nM |
Agonist activity at mouse adenosine A1 receptor expressed in HEK293 cell membranes assessed as inhibition of forskolin-stimulated cAMP production preincubated for 30 mins prior to forskolin-treatment measured after 15 mins by ELISA |
CHEMBL2401698 |
| Adenosine A1 receptor |
Inhibition |
|
|
% |
Antagonist activity at human adenosine A1 receptor expressed in CHO cells assessed as inhibition of CCPA-stimulated cAMP level at 100 nM by scintillation counting analysis |
CHEMBL3352340 |
| Adenosine A1 receptor |
Ki |
= |
14.9 |
nM |
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes |
CHEMBL3352551 |
| Adenosine A1 receptor |
Inhibition |
|
|
% |
Agonist activity at human recombinant adenosine A1 receptor transfected in CHO cells assessed as inhibition of forskolin-induced adenylyl cyclase activity |
CHEMBL3414438 |
| Unchecked |
IC50 |
= |
9800.0 |
nM |
Inhibition of Trichomonas vaginalis adenosine-guanosine preferring ribohydrolase after 40 mins |
CHEMBL3632572 |
| Unchecked |
IC50 |
= |
11700.0 |
nM |
Inhibition of Trichomonas vaginalis adenosine-guanosine preferring ribohydrolase after 40 mins in presence of 0.01% triton X-100 |
CHEMBL3632572 |
| Unchecked |
Inhibition |
|
|
% |
Inhibition of Trichomonas vaginalis uridine ribohydrolase after 40 mins |
CHEMBL3632572 |
| Adenosine A1 receptor |
EC50 |
= |
199.53 |
nM |
Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase reporter gene assay |
CHEMBL3769381 |
| Adenosine A2a receptor |
EC50 |
= |
10000.0 |
nM |
Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay |
CHEMBL3769381 |
| Adenosine A2b receptor |
EC50 |
= |
72443.6 |
nM |
Agonist activity at human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay |
CHEMBL3769381 |
| Adenosine A1 receptor |
Emax |
= |
80.9 |
% |
Agonist activity at human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 after 16 hrs by beta galactosidase reporter gene assay relative to NECA |
CHEMBL3769381 |
| Adenosine A2a receptor |
Emax |
= |
74.7 |
% |
Agonist activity at human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay relative to NECA |
CHEMBL3769381 |
| Adenosine A2b receptor |
Emax |
= |
30.6 |
% |
Agonist activity at human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas after 16 hrs by beta-galactosidase reporter gene assay relative to NECA |
CHEMBL3769381 |
| Adenosine A1 receptor |
pKA |
= |
6.1 |
|
Binding affinity to human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 |
CHEMBL3769381 |
| Adenosine A2a receptor |
pKA |
= |
4.7 |
|
Binding affinity to human Adenosine A2A receptor expressed in yeast cells coexpressed with GPA1/Galphas |
CHEMBL3769381 |
| Adenosine A2b receptor |
pKA |
= |
4.4 |
|
Binding affinity to human Adenosine A2B receptor expressed in yeast cells coexpressed with GPA1/Galphas |
CHEMBL3769381 |
| Adenosine A1 receptor |
log(activity) |
= |
0.6 |
|
Binding affinity to human Adenosine A1 receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphai1 relative to NECA |
CHEMBL3769381 |
| Adenosine A2a receptor |
log(activity) |
= |
-0.1 |
|
Binding affinity to human Adenosine A2A receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas relative to NECA |
CHEMBL3769381 |
| Adenosine A2b receptor |
log(activity) |
= |
3.5 |
|
Binding affinity to human Adenosine A2B receptor expressed in yeast cells coexpressed with chimeric GPA1/Galphas relative to NECA |
CHEMBL3769381 |
| Adenosine A1 receptor |
IC50 |
= |
0.5012 |
nM |
Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by multimode microplate reader analysis |
CHEMBL3769381 |
| Adenosine A3 receptor |
IC50 |
= |
11.22 |
nM |
Agonist activity at human Adenosine A3 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by multimode microplate reader analysis |
CHEMBL3769381 |
| Adenosine A1 receptor |
Activity |
= |
-71.4 |
% |
Agonist activity at human Adenosine A1 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by multimode microplate reader analysis relative to total forskolin |
CHEMBL3769381 |
| Adenosine A3 receptor |
Activity |
= |
-46.6 |
% |
Agonist activity at human Adenosine A3 receptor transfected in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins by multimode microplate reader analysis relative to total forskolin |
CHEMBL3769381 |
| Adenosine A3 receptor |
Ki |
= |
38.0 |
nM |
Binding affinity to Adenosine receptor A3 (unknown origin) |
CHEMBL3774335 |
| Adenosine A1 receptor |
Ki |
= |
0.83 |
nM |
Radioligand Binding Assay: Membranes for radioligand binding experiments are prepared from fresh or frozen cells as described in Klotz et al., Naunyn-Schmiedeberg's Arch. Pharmacol, 357:1-9 (1998). The cell suspension is then homogenized in ice-cold hypotonic buffer (5 mM Tris/HCl, 2 mM EDTA, pH 7.4) and the homogenate is spun for 10 minutes (4° C.) at 1,000 g. The membranes are then sedimented from the supernatant for 30 minutes at 100,000 g and resuspended in 50 mM Tris/HCl buffer pH 7.4 (for A3 adenosine receptors: 50 mM Tris/HCl, 10 mM MgCl2, 1 mM EDTA, pH 8.25), frozen in liquid nitrogen at a protein concentration of 1-3 mg/mL and stored at −80° C. Dissociation constants of unlabeled compounds (Ki-values) are determined in competition experiments in 96-well microplates using the A1 selective agonist 2-chloro-N6-[3H]cyclopentyladenosine ([3H]CCPA, 1 nM) for the characterization of A1 receptor binding. Nonspecific binding is determined in the presence of 100 μM R-PM and 1 mM theophylline, respectively. |
CHEMBL3638797 |
| Unchecked |
Activity |
|
|
|
Induction of adipogenesis in human bone marrow-derived mesenchymal stem cells assessed as increase in adiponectin production at 20.4 uM after 7 days in presence of IDX |
CHEMBL4017496 |
| Unchecked |
Activity |
= |
20.0 |
% |
Induction of adipogenesis in mouse 7F2 cells transfected with human AR assessed as increase in the production of adiponectin at 1 to 10 uM after 7 to 12 days by staining based oil red O phase contrast microscopic method relative to control |
CHEMBL4017496 |
| SARS-CoV-2 |
Inhibition |
= |
-1.39 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging |
CHEMBL4303101 |
| Adenosine A1 receptor |
Ki |
= |
0.83 |
nM |
Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
CHEMBL4368904 |
| Adenosine A1 receptor |
Ki |
= |
0.21 |
nM |
Displacement of [3H]N6-R-phenylisopropyladenosine from mouse A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
CHEMBL4368904 |
| Adenosine A2a receptor |
Ki |
= |
2270.0 |
nM |
Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by scintillation proximity assay |
CHEMBL4368904 |
| Adenosine A2a receptor |
Ki |
= |
988.0 |
nM |
Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by scintillation proximity assay |
CHEMBL4368904 |
| Adenosine A3 receptor |
Ki |
= |
38.0 |
nM |
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human A3A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
CHEMBL4368904 |
| Adenosine A3 receptor |
Ki |
= |
17.0 |
nM |
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from mouse A3A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay |
CHEMBL4368904 |
| Adenosine A1 receptor |
EC50 |
= |
1.65 |
nM |
Agonist activity at rat A1A adenosine receptor expressed in CHO-K1 cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay |
CHEMBL4368904 |
| Adenosine A1 receptor |
Emax |
= |
103.0 |
% |
Agonist activity at rat A1A adenosine receptor expressed in CHO-K1 cell membranes at 10 uM incubated for 60 mins by [35S]GTPgammaS binding assay relative to (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide |
CHEMBL4368904 |
| ADMET |
Activity |
|
|
|
Toxicity in Sprague-Dawley rat assessed as increase in blood pressure at 0.02 mg/kg, iv |
CHEMBL4368904 |
| Replicase polyprotein 1ab |
Inhibition |
= |
-0.5411 |
% |
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate |
CHEMBL4495564 |
| SARS-CoV-2 |
Inhibition |
= |
-0.09 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4495565 |
| SARS-CoV-2 |
Inhibition |
= |
-0.09 |
% |
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging |
CHEMBL4495565 |
| Adenosine A1 receptor |
Ki |
= |
1.2 |
nM |
Displacement of [3H]-CCPA from human A1 receptor stably expressed in CHO cell membranes by radioligand competitive binding assay |
CHEMBL4706508 |
| Adenosine A2a receptor |
Ki |
= |
2050.0 |
nM |
Displacement of [3H]-NECA from human A2A receptor stably expressed in CHO cell membranes by radioligand competitive binding assay |
CHEMBL4706508 |
| Adenosine A3 receptor |
Ki |
= |
26.0 |
nM |
Displacement of [3H]-HEMADO from human A3 receptor stably expressed in CHO cell membranes by radioligand competitive binding assay |
CHEMBL4706508 |
