1-butyl-8-(3-noradamantyl)-3-(3-hydroxypropyl)xanthine: an A1 receptor antagonist [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 11689583 |
| CHEMBL ID | 1316674 |
| CHEBI ID | 91832 |
| SCHEMBL ID | 4397296 |
| MeSH ID | M0528747 |
| Synonym |
|---|
| HMS3268H03 , |
| BRD-A70407468-001-01-2 |
| NCGC00161397-01 |
| CHEMBL1316674 , |
| psb 36 |
| 524944-72-7 |
| psb36 |
| 1-butyl-8-(hexahydro-2,5-methanopentalen-3a(1h)-yl)-3-(3-hydroxypropyl)-3,7-dihydro-1h-purine-2,6-dione |
| gtpl3285 |
| SCHEMBL4397296 |
| AKOS024456913 |
| DTXSID70470675 |
| CHEBI:91832 |
| HMS3677C13 |
| Q27088473 |
| HMS3413C13 |
| 1-butyl-3-(3-hydroxypropyl)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7h-purine-2,6-dione |
| 1-butyl-8-(3-noradamantyl)-3-(3-hydroxypropyl)xanthine |
| MS-26391 |
| CS-0025148 |
| bdbm50550813 |
| HY-103175 |
| Class | Description |
|---|---|
| oxopurine | |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 7.9433 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
| vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 79.4328 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 0.0631 | 0.0079 | 8.2332 | 1,122.0200 | AID2551 |
| histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 2.2387 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Homo sapiens (human) | Ki | 2.3000 | 0.0000 | 0.9306 | 10.0000 | AID1687722 |
| Adenosine receptor A1 | Rattus norvegicus (Norway rat) | Ki | 0.0001 | 0.0001 | 1.2092 | 9.9700 | AID1687717 |
| Adenosine receptor A3 | Rattus norvegicus (Norway rat) | Ki | 6.5000 | 0.0003 | 0.9196 | 9.0000 | AID1687723 |
| Adenosine receptor A2a | Homo sapiens (human) | Ki | 0.9800 | 0.0000 | 1.0609 | 9.7920 | AID1687718 |
| Adenosine receptor A2b | Homo sapiens (human) | Ki | 0.1870 | 0.0002 | 1.6352 | 10.0000 | AID1687720 |
| Adenosine receptor A1 | Homo sapiens (human) | Ki | 0.0007 | 0.0002 | 0.9316 | 10.0000 | AID1687716; AID1871327 |
| Adenosine receptor A2a | Rattus norvegicus (Norway rat) | Ki | 0.5520 | 0.0002 | 1.4940 | 10.0000 | AID1687719 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Homo sapiens (human) | Kd | 0.0024 | 0.0002 | 0.4731 | 9.6000 | AID1342781 |
| Adenosine receptor A1 | Homo sapiens (human) | Kd | 0.0006 | 0.0002 | 0.4621 | 5.9000 | AID1342822 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1687716 | Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay | |||
| AID1687720 | Displacement of [3H]PSB-603 from human adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay | |||
| AID1687718 | Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay | |||
| AID1687719 | Displacement of [3H]MSX2 from adenosine receptor A2A in rat brain striatum membranes incubated for 30 mins by radioligand competition assay | |||
| AID1871327 | Antagonist activity at adenosine A1 receptor (unknown origin) | 2022 | European journal of medicinal chemistry, Jan-05, Volume: 227 | Adenosine receptor antagonists: Recent advances and therapeutic perspective. |
| AID1687717 | Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay | |||
| AID1687723 | Displacement of [3H]NECA from rat adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay | |||
| AID1687722 | Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay | |||
| AID1508630 | Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 2021 | Cell reports, 04-27, Volume: 35, Issue:4 | A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. |
| AID1347154 | Primary screen GU AMC qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1345630 | Rat A1 receptor (Adenosine receptors) | 2004 | The Journal of pharmacology and experimental therapeutics, Jan, Volume: 308, Issue:1 | Antinociceptive effects of novel A2B adenosine receptor antagonists. |
| AID1345831 | Rat A3 receptor (Adenosine receptors) | 2006 | ChemMedChem, Aug, Volume: 1, Issue:8 | Improving potency, selectivity, and water solubility of adenosine A1 receptor antagonists: xanthines modified at position 3 and related pyrimido[1,2,3-cd]purinediones. |
| AID1345822 | Human A3 receptor (Adenosine receptors) | 2006 | ChemMedChem, Aug, Volume: 1, Issue:8 | Improving potency, selectivity, and water solubility of adenosine A1 receptor antagonists: xanthines modified at position 3 and related pyrimido[1,2,3-cd]purinediones. |
| AID1345721 | Human A2B receptor (Adenosine receptors) | 2006 | Bioorganic & medicinal chemistry, Jun-01, Volume: 14, Issue:11 | Norbornyllactone-substituted xanthines as adenosine A(1) receptor antagonists. |
| AID1345618 | Human A2A receptor (Adenosine receptors) | 2006 | ChemMedChem, Aug, Volume: 1, Issue:8 | Improving potency, selectivity, and water solubility of adenosine A1 receptor antagonists: xanthines modified at position 3 and related pyrimido[1,2,3-cd]purinediones. |
| AID1345690 | Rat A2A receptor (Adenosine receptors) | 2006 | ChemMedChem, Aug, Volume: 1, Issue:8 | Improving potency, selectivity, and water solubility of adenosine A1 receptor antagonists: xanthines modified at position 3 and related pyrimido[1,2,3-cd]purinediones. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 4 (44.44) | 29.6817 |
| 2010's | 1 (11.11) | 24.3611 |
| 2020's | 4 (44.44) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (22.49) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (11.11%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 8 (88.89%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||