Detailed information for compound 1875375

Basic information

Technical information
  • TDR Targets ID: 1875375
  • Name: (2E)-5-ethyl-3-[(4-fluorophenyl)methyl]-2-((E )-furan-2-ylmethylidenehydrazinylidene)-1,3-t hiazolidin-4-one
  • MW: 345.391 | Formula: C17H16FN3O2S
  • H donors: 0 H acceptors: 1 LogP: 4.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1S/C(=N/N=C/c2ccco2)/N(C1=O)Cc1ccc(cc1)F
  • InChi: 1S/C17H16FN3O2S/c1-2-15-16(22)21(11-12-5-7-13(18)8-6-12)17(24-15)20-19-10-14-4-3-9-23-14/h3-10,15H,2,11H2,1H3/b19-10+,20-17+
  • InChiKey: HVFHBRLASUMCCI-HPCQOMFASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2E)-5-ethyl-3-[(4-fluorophenyl)methyl]-2-((E)-2-furylmethylenehydrazono)thiazolidin-4-one
  • (2E)-5-ethyl-3-[(4-fluorophenyl)methyl]-2-((E)-2-furylmethylenehydrazono)-4-thiazolidinone
  • (2E)-5-ethyl-3-(4-fluorobenzyl)-2-((E)-2-furylmethylenehydrazono)thiazolidin-4-one
  • STOCK3S-25053

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0054 0.0472 1
Loa Loa (eye worm) acetyltransferase 0.0178 0.1745 0.3897
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0076 0.07 0.4051
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0284 0.6013
Plasmodium vivax hypothetical protein 0.0013 0.0042 0.0886
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0496 0.2799
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0193 0.0932
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0399 0.5
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0013 0.0042 0.0183
Schistosoma mansoni hypothetical protein 0.0025 0.0169 0.0918
Schistosoma mansoni zinc finger protein 0.0028 0.02 0.1097
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.0472 1
Brugia malayi Pre-SET motif family protein 0.0251 0.2502 0.5732
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0193 0.0152
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0076 0.07 0.066
Loa Loa (eye worm) bromodomain containing protein 0.0026 0.0177 0.0374
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0193 0.1055
Loa Loa (eye worm) hypothetical protein 0.0085 0.0792 0.1757
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0178 0.1745 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0464 0.1019
Schistosoma mansoni bromodomain containing protein 0.0081 0.0744 0.423
Loa Loa (eye worm) hypothetical protein 0.0429 0.4333 0.971
Trypanosoma cruzi ISWI complex protein 0.0018 0.0103 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0125 0.0661
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2502 0.5596
Onchocerca volvulus CoRest homolog 0.0442 0.4462 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0072
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0399 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.0103 0.0536
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0071
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.027 0.1408
Brugia malayi Myb-like DNA-binding domain containing protein 0.0429 0.4333 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.036 0.0319
Loa Loa (eye worm) hypothetical protein 0.0056 0.0487 0.1072
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2859 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.036 0.1958
Brugia malayi PHD-finger family protein 0.0034 0.0267 0.0524
Trypanosoma cruzi ISWI complex protein 0.0018 0.0103 0.5
Onchocerca volvulus 0.0036 0.0284 0.0548
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0284 0.1579
Loa Loa (eye worm) GATA zinc finger family protein 0.0013 0.0042 0.0071
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0125 0.0083
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0071
Brugia malayi Bromodomain containing protein 0.0051 0.0433 0.0912
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0178 0.1745 0.171
Leishmania major hypothetical protein, conserved 0.0018 0.0103 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.039 0.0853
Schistosoma mansoni zinc finger protein 0.0013 0.0042 0.0184
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0399 0.5
Brugia malayi Bromodomain containing protein 0.0095 0.089 0.1976
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.0472 0.2652
Schistosoma mansoni rest corepressor (corest) protein 0.0013 0.0042 0.0183
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1665 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0125 0.0511
Plasmodium vivax SET domain protein, putative 0.0036 0.0284 0.6013
Trypanosoma brucei ISWI complex protein 0.0018 0.0103 0.5
Schistosoma mansoni zinc finger protein 0.0018 0.0103 0.0536
Onchocerca volvulus 0.0286 0.2859 0.6374
Brugia malayi Pre-SET motif family protein 0.0036 0.0284 0.0564
Loa Loa (eye worm) hypothetical protein 0.0442 0.4462 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0125 0.0661
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0496 0.2802
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.0472 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0284 0.0243
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0496 0.0456
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0284 0.1579
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0013 0.0042 0.0183
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0169 0.0358
Echinococcus multilocularis rest corepressor (corest) protein 0.0013 0.0042 0.0000072823
Echinococcus granulosus zinc finger protein 0.0028 0.02 0.0977
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0496 0.2802
Echinococcus multilocularis zinc finger protein 0.0028 0.02 0.0159
Schistosoma mansoni rest corepressor (corest) protein 0.0013 0.0042 0.0183
Loa Loa (eye worm) hypothetical protein 0.0057 0.0496 0.1092
Brugia malayi acetyltransferase, GNAT family protein 0.0178 0.1745 0.3969

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 2.5918 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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