Assay Detail
Binding
CHEMBL649117
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Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligand
44
Total Activities
44
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Tissue | Striatum |
| Subcellular | Membrane |
| Confidence | 4 — Cell-line / Tissue |
| Curated By | Autocuration |
Publication
Synthesis of paraxanthine analogs (1,7-disubstituted xanthines) and other xanthines unsubstituted at the 3-position: structure-activity relationships at adenosine receptors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 44 | 4.87 | 6.24 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL37243 | — | — | 1 | 6.24 |
| CHEMBL114974 | — | — | 1 | 6.14 |
| CHEMBL114986 | — | — | 1 | 5.77 |
| CHEMBL287129 | — | — | 1 | 5.75 |
| CHEMBL274855 | — | — | 1 | 5.72 |
| CHEMBL10873 | — | — | 1 | 5.68 |
| CHEMBL9069 | — | — | 1 | 5.66 |
| CHEMBL112587 | — | — | 1 | 5.64 |
| CHEMBL304455 | — | — | 1 | 5.32 |
| CHEMBL115940 | — | — | 1 | 5.19 |
| CHEMBL157655 | — | — | 1 | 5.18 |
| CHEMBL113668 | — | — | 1 | 5.01 |
| CHEMBL66899 | — | — | 1 | 5.00 |
| CHEMBL20613 | — | — | 1 | 4.96 |
| CHEMBL302344 | — | — | 1 | 4.89 |
| CHEMBL115356 | — | — | 1 | 4.85 |
| CHEMBL26350 | — | — | 1 | 4.82 |
| CHEMBL115556 | — | — | 1 | 4.80 |
| CHEMBL26119 | — | — | 1 | 4.80 |
| CHEMBL275084 | ISOBUTYLMETHYLXANTHINE | — | 1 | 4.80 |
| CHEMBL286976 | — | — | 1 | 4.72 |
| CHEMBL286785 | — | — | 1 | 4.70 |
| CHEMBL285191 | — | — | 1 | 4.68 |
| CHEMBL113155 | — | — | 1 | 4.66 |
| CHEMBL1355736 | THEOPHYLLINE | 4.0 | 1 | 4.66 |
| CHEMBL24107 | — | — | 1 | 4.64 |
| CHEMBL8565 | — | — | 1 | 4.62 |
| CHEMBL21449 | — | — | 1 | 4.62 |
| CHEMBL113103 | — | — | 1 | 4.58 |
| CHEMBL67415 | — | — | 1 | 4.58 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL37243 | — | Ki | = | 580.0 | nM | 6.24 |
| CHEMBL114974 | — | Ki | = | 730.0 | nM | 6.14 |
| CHEMBL114986 | — | Ki | = | 1700.0 | nM | 5.77 |
| CHEMBL287129 | — | Ki | = | 1800.0 | nM | 5.75 |
| CHEMBL274855 | — | Ki | = | 1900.0 | nM | 5.72 |
| CHEMBL10873 | — | Ki | = | 2100.0 | nM | 5.68 |
| CHEMBL9069 | — | Ki | = | 2200.0 | nM | 5.66 |
| CHEMBL112587 | — | Ki | = | 2300.0 | nM | 5.64 |
| CHEMBL304455 | — | Ki | = | 4800.0 | nM | 5.32 |
| CHEMBL115940 | — | Ki | = | 6400.0 | nM | 5.19 |
| CHEMBL157655 | — | Ki | = | 6600.0 | nM | 5.18 |
| CHEMBL113668 | — | Ki | = | 9700.0 | nM | 5.01 |
| CHEMBL66899 | — | Ki | = | 10000.0 | nM | 5.00 |
| CHEMBL20613 | — | Ki | = | 11000.0 | nM | 4.96 |
| CHEMBL302344 | — | Ki | = | 13000.0 | nM | 4.89 |
| CHEMBL115356 | — | Ki | = | 14000.0 | nM | 4.85 |
| CHEMBL26350 | — | Ki | = | 15000.0 | nM | 4.82 |
| CHEMBL115556 | — | Ki | = | 16000.0 | nM | 4.80 |
| CHEMBL26119 | — | Ki | = | 16000.0 | nM | 4.80 |
| CHEMBL275084 | ISOBUTYLMETHYLXANTHINE | Ki | = | 16000.0 | nM | 4.80 |
| CHEMBL286976 | — | Ki | = | 19000.0 | nM | 4.72 |
| CHEMBL286785 | — | Ki | = | 20000.0 | nM | 4.70 |
| CHEMBL285191 | — | Ki | = | 21000.0 | nM | 4.68 |
| CHEMBL1355736 | THEOPHYLLINE | Ki | = | 22000.0 | nM | 4.66 |
| CHEMBL113155 | — | Ki | = | 22000.0 | nM | 4.66 |
| CHEMBL24107 | — | Ki | = | 23000.0 | nM | 4.64 |
| CHEMBL8565 | — | Ki | = | 24000.0 | nM | 4.62 |
| CHEMBL21449 | — | Ki | = | 24000.0 | nM | 4.62 |
| CHEMBL113103 | — | Ki | = | 26000.0 | nM | 4.58 |
| CHEMBL67415 | — | Ki | = | 26000.0 | nM | 4.58 |
| CHEMBL115670 | — | Ki | = | 29000.0 | nM | 4.54 |
| CHEMBL416013 | — | Ki | = | 31000.0 | nM | 4.51 |
| CHEMBL1158 | PARAXANTHINE | Ki | = | 32000.0 | nM | 4.50 |
| CHEMBL39986 | — | Ki | = | 33000.0 | nM | 4.48 |
| CHEMBL324125 | — | Ki | = | 36000.0 | nM | 4.44 |
| CHEMBL112369 | — | Ki | = | 37000.0 | nM | 4.43 |
| CHEMBL1250 | 1-METHYLXANTHINE | Ki | = | 47000.0 | nM | 4.33 |
| CHEMBL112295 | — | Ki | = | 53000.0 | nM | 4.28 |
| CHEMBL321248 | 7-METHYLXANTHINE | Ki | = | 59000.0 | nM | 4.23 |
| CHEMBL619 | 3-METHYLXANTHINE | Ki | = | 59000.0 | nM | 4.23 |
| CHEMBL68278 | — | Ki | = | 61000.0 | nM | 4.21 |
| CHEMBL20806 | — | Ki | = | 61000.0 | nM | 4.21 |
| CHEMBL114891 | — | Ki | = | 66000.0 | nM | 4.18 |
| CHEMBL279898 | ENPROFYLLINE | Ki | = | 137000.0 | nM | - |