| ID Source | ID |
|---|---|
| PubMed CID | 2963624 |
| CHEMBL ID | 1447678 |
| CHEBI ID | 107751 |
| Synonym |
|---|
| smr000078684 |
| 4-({[4-(2-furylmethyl)-5-(2-thienylmethyl)-4h-1,2,4-triazol-3-yl]thio}methyl)benzonitrile |
| MLS000050954 , |
| CHEBI:107751 |
| 4-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile |
| HMS2186M17 |
| REGID_FOR_CID_2963624 |
| 4-[[[4-(2-furfuryl)-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile |
| cid_2963624 |
| 4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile |
| bdbm62073 |
| 4-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile |
| CHEMBL1447678 |
| Q27186078 |
| Class | Description |
|---|---|
| nitrile | A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it. |
| benzenes | Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. |
| [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, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 35.4813 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
| Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 56.2341 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
| Chain A, ATP-DEPENDENT DNA HELICASE Q1 | Homo sapiens (human) | Potency | 35.4813 | 0.1259 | 19.1169 | 125.8920 | AID2549 |
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
| phosphopantetheinyl transferase | Bacillus subtilis | Potency | 14.1254 | 0.1413 | 37.9142 | 100.0000 | AID1490 |
| TDP1 protein | Homo sapiens (human) | Potency | 29.0929 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 22.3872 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
| thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 11.2202 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
| aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 11.2202 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 3.9811 | 0.0013 | 18.0743 | 39.8107 | AID926; AID938 |
| hypothetical protein, conserved | Trypanosoma brucei | Potency | 28.1838 | 0.2239 | 11.2451 | 35.4813 | AID624173 |
| bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 50.1187 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
| euchromatic histone-lysine N-methyltransferase 2 | Homo sapiens (human) | Potency | 28.1838 | 0.0355 | 20.9770 | 89.1251 | AID504332 |
| vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 89.1251 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
| pyruvate kinase PKM isoform a | Homo sapiens (human) | Potency | 22.3872 | 0.0401 | 7.4590 | 31.6228 | AID1631; AID1634 |
| DNA polymerase beta | Homo sapiens (human) | Potency | 14.1254 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
| DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 22.3872 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 17.7828 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
| DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
| Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) | Potency | 31.6228 | 0.3162 | 12.7657 | 31.6228 | AID881 |
| Histamine H2 receptor | Cavia porcellus (domestic guinea pig) | Potency | 31.6228 | 0.0063 | 8.2350 | 39.8107 | AID881 |
| Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 3.5481 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
| Inositol monophosphatase 1 | Rattus norvegicus (Norway rat) | Potency | 11.2202 | 1.0000 | 10.4756 | 28.1838 | AID1457 |
| ATP-dependent phosphofructokinase | Trypanosoma brucei brucei TREU927 | Potency | 33.8078 | 0.0601 | 10.7453 | 37.9330 | AID485367 |
| [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) |
|---|---|---|---|---|---|---|---|
| neuropeptides B/W receptor 1 | Homo sapiens (human) | IC50 (µMol) | 43.8070 | 0.2720 | 0.2765 | 0.2810 | AID2251 |
| melanin-concentrating hormone receptor 1 | Homo sapiens (human) | IC50 (µMol) | 22.9510 | 3.9000 | 3.9000 | 3.9000 | AID2257 |
| Vif | Human immunodeficiency virus 1 | IC50 (µMol) | 46.5500 | 0.2700 | 34.0015 | 100.0000 | AID1117319 |
| DNA dC->dU-editing enzyme APOBEC-3G isoform 1 | Homo sapiens (human) | IC50 (µMol) | 46.5500 | 0.2700 | 26.3638 | 100.0000 | AID1117319 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| nucleus | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
| cytosol | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
| cytoskeleton | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
| plasma membrane | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
| adherens junction | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
| focal adhesion | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
| membrane | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
| extracellular exosome | Polyunsaturated fatty acid lipoxygenase ALOX15B | Homo sapiens (human) |
| plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| 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. |
| 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. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| [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] | ||