dafadine C : An N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine. [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]
| ID Source | ID |
|---|---|
| PubMed CID | 16189154 |
| CHEMBL ID | 1543473 |
| CHEBI ID | 88329 |
| Synonym |
|---|
| MLS000732678 , |
| 4-[1-({5-[(2,6-difluorophenoxy)methyl]isoxazol-3-yl}carbonyl)piperidin-4-yl]pyridine |
| smr000315510 |
| HMS2715F14 |
| dafadine-c |
| cid_16189154 |
| [5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone |
| [5-[(2,6-difluorophenoxy)methyl]-3-isoxazolyl]-(4-pyridin-4-yl-1-piperidinyl)methanone |
| [5-[[2,6-bis(fluoranyl)phenoxy]methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone |
| [5-[(2,6-difluorophenoxy)methyl]isoxazol-3-yl]-[4-(4-pyridyl)piperidino]methanone |
| bdbm44228 |
| {5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl}[4-(pyridin-4-yl)piperidin-1-yl]methanone |
| dafadine c |
| CHEMBL1543473 |
| chebi:88329 , |
| SR-01000174349-1 |
| sr-01000174349 |
| 4-[1-({5-[(2,6-difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-4-piperidinyl]pyridine |
| Q27160187 |
| Role | Description |
|---|---|
| P450 inhibitor | An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. |
| [role 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] | |
| Class | Description |
|---|---|
| N-acylpiperidine | |
| aromatic amide | An amide in which the amide linkage is bonded directly to an aromatic system. |
| aromatic ether | Any ether in which the oxygen is attached to at least one aryl substituent. |
| isoxazoles | Oxazoles in which the N and O atoms are adjacent. |
| pyridines | Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. |
| difluorobenzene | Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms. |
| [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 | 39.8107 | 0.0447 | 17.8581 | 100.0000 | AID485341 |
| phosphopantetheinyl transferase | Bacillus subtilis | Potency | 79.4328 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 6.5104 | 0.0041 | 10.8903 | 31.5287 | AID504467 |
| TDP1 protein | Homo sapiens (human) | Potency | 9.2000 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 28.1838 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| IDH1 | Homo sapiens (human) | Potency | 5.8048 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
| NPC intracellular cholesterol transporter 1 precursor | Homo sapiens (human) | Potency | 2.2387 | 0.0126 | 2.4518 | 25.0177 | AID485313 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 7.3078 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
| huntingtin isoform 2 | Homo sapiens (human) | Potency | 19.9526 | 0.0006 | 18.4198 | 1,122.0200 | AID1688 |
| ras-related protein Rab-9A | Homo sapiens (human) | Potency | 3.5481 | 0.0002 | 2.6215 | 31.4954 | AID485297 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 89.1251 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 24.0682 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
| geminin | Homo sapiens (human) | Potency | 2.3109 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
| [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) |
|---|---|---|---|---|---|---|---|
| tumor necrosis factor | Homo sapiens (human) | IC50 (µMol) | 9.1435 | 0.0793 | 5.8098 | 14.7275 | AID2485 |
| nucleotide-binding oligomerization domain-containing protein 2 isoform 1 | Homo sapiens (human) | IC50 (µMol) | 17.0580 | 1.1460 | 7.1372 | 19.7000 | AID2001 |
| [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) |
|---|---|---|---|---|---|---|---|
| electroneutral potassium-chloride cotransporter KCC2 | Homo sapiens (human) | EC50 (µMol) | 17.9000 | 0.4810 | 1.5303 | 2.3100 | AID1736 |
| nucleotide-binding oligomerization domain-containing protein 1 isoform 1 | Homo sapiens (human) | EC50 (µMol) | 2.6400 | 0.1700 | 7.2584 | 18.7000 | AID1578 |
| [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 | |||
| 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. |
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| 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] | ||