| ID Source | ID |
|---|---|
| PubMed CID | 16187184 |
| CHEMBL ID | 1312906 |
| CHEBI ID | 107856 |
| Synonym |
|---|
| MLS000834465 , |
| smr000386254 |
| (4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)((2r,4r)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2h-pyran-6-yl)methanone |
| CHEBI:107856 |
| BRD-K53061928-001-01-0 |
| HMS2226H03 |
| [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2r,4r)-4-(4-bromophenyl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2h-pyran-6-yl]methanone |
| cid_16187184 |
| [(2r,4r)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2h-pyran-6-yl]-(4-piperonylpiperazino)methanone |
| [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2r,4r)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2h-pyran-6-yl]methanone |
| bdbm63380 |
| [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2r,4r)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2h-pyran-6-yl]methanone |
| CHEMBL1312906 |
| Q27186196 |
| Class | Description |
|---|---|
| benzodioxoles | |
| [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) |
|---|---|---|---|---|---|---|---|
| Chain A, Beta-lactamase | Escherichia coli K-12 | Potency | 14.1254 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
| Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 56.2341 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 28.1838 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 29.0810 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 17.3582 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| 67.9K protein | Vaccinia virus | Potency | 6.5812 | 0.0001 | 8.4406 | 100.0000 | AID720579; AID720580 |
| bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 79.4328 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 50.1187 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
| peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 79.4328 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
| urokinase-type plasminogen activator precursor | Mus musculus (house mouse) | Potency | 10.0000 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| plasminogen precursor | Mus musculus (house mouse) | Potency | 10.0000 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| urokinase plasminogen activator surface receptor precursor | Mus musculus (house mouse) | Potency | 10.0000 | 0.1585 | 5.2879 | 12.5893 | AID540303 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 35.4813 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
| geminin | Homo sapiens (human) | Potency | 18.3564 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| neuropeptide S receptor isoform A | Homo sapiens (human) | Potency | 10.0000 | 0.0158 | 12.3113 | 615.5000 | AID1461 |
| [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) |
|---|---|---|---|---|---|---|---|
| Hsf1 protein | Mus musculus (house mouse) | EC50 (µMol) | 195.0000 | 0.1600 | 24.4900 | 236.5000 | AID2382 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
| [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 | 1 (20.00) | 29.6817 |
| 2010's | 3 (60.00) | 24.3611 |
| 2020's | 1 (20.00) | 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 weak demand-to-supply ratio for research on this compound.
| This Compound (12.56) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||