Detailed information for compound 681383

Basic information

Technical information
  • TDR Targets ID: 681383
  • Name: 4-ethoxy-N-[2-[2-(4-fluorophenyl)-[1,3]thiazo lo[2,3-e][1,2,4]triazol-6-yl]ethyl]benzenesul fonamide
  • MW: 446.518 | Formula: C20H19FN4O3S2
  • H donors: 1 H acceptors: 4 LogP: 3.9 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)S(=O)(=O)NCCc1csc2n1nc(n2)c1ccc(cc1)F
  • InChi: 1S/C20H19FN4O3S2/c1-2-28-17-7-9-18(10-8-17)30(26,27)22-12-11-16-13-29-20-23-19(24-25(16)20)14-3-5-15(21)6-4-14/h3-10,13,22H,2,11-12H2,1H3
  • InChiKey: GFOKIAHDAOAOHS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-ethoxy-N-[2-[2-(4-fluorophenyl)thiazolo[2,3-e][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
  • 4-ethoxy-N-[2-[2-(4-fluorophenyl)-6-thiazolo[2,3-e][1,2,4]triazolyl]ethyl]benzenesulfonamide
  • G856-5106
  • NCGC00136309-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0079 0.0094 0.5
Brugia malayi Ets-domain containing protein 0.0079 0.0093 0.0507
Schistosoma mansoni tar DNA-binding protein 0.0208 0.0692 0.0687
Onchocerca volvulus 0.0061 0.001 0.0029
Schistosoma mansoni thyroid hormone receptor 0.0593 0.2481 0.2477
Loa Loa (eye worm) inositol-1 0.0079 0.0094 0.0283
Loa Loa (eye worm) hypothetical protein 0.0172 0.0527 0.1658
Loa Loa (eye worm) hypothetical protein 0.015 0.0422 0.1324
Schistosoma mansoni calcium-activated potassium channel 0.045 0.1815 0.1811
Echinococcus multilocularis thyroid hormone receptor alpha 0.0593 0.2481 0.2473
Schistosoma mansoni lipoxygenase 0.0083 0.0111 0.0106
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.001 0.0006
Schistosoma mansoni hypothetical protein 0.017 0.0515 0.051
Schistosoma mansoni ets-related 0.0239 0.0836 0.0831
Brugia malayi Fli-1 protein 0.0239 0.0836 0.49
Echinococcus granulosus tumor protein p63 0.0408 0.1621 0.1621
Brugia malayi Inositol-1 0.0079 0.0094 0.0515
Brugia malayi RNA recognition motif domain containing protein 0.0208 0.0692 0.4048
Loa Loa (eye worm) hypothetical protein 0.006 0.0007 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0208 0.0692 0.0687
Schistosoma mansoni inositol monophosphatase 0.0079 0.0094 0.0089
Loa Loa (eye worm) hypothetical protein 0.0061 0.001 0.0018
Trichomonas vaginalis set domain proteins, putative 0.0484 0.1971 1
Echinococcus granulosus small conductance calcium activated potassium 0.0739 0.3157 0.3157
Plasmodium vivax SET domain protein, putative 0.0061 0.001 0.5
Schistosoma mansoni tar DNA-binding protein 0.0208 0.0692 0.0687
Brugia malayi Ets-domain containing protein 0.0079 0.0093 0.0507
Echinococcus multilocularis tumor protein p63 0.0408 0.1621 0.1612
Schistosoma mansoni tar DNA-binding protein 0.0208 0.0692 0.0687
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0932 0.4052 0.4046
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0079 0.0094 0.5
Schistosoma mansoni gabp alpha 0.0079 0.0093 0.0088
Schistosoma mansoni hypothetical protein 0.0549 0.2276 0.2273
Loa Loa (eye worm) hypothetical protein 0.0262 0.0945 0.2983
Onchocerca volvulus 0.015 0.0422 0.2123
Echinococcus granulosus GA binding protein alpha chain 0.0079 0.0093 0.0093
Loa Loa (eye worm) TAR-binding protein 0.0208 0.0692 0.2179
Echinococcus granulosus inositol monophosphatase 1 0.0079 0.0094 0.0094
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0079 0.0094 1
Echinococcus granulosus tar DNA binding protein 0.0208 0.0692 0.0692
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.0887 1
Onchocerca volvulus 0.0484 0.1971 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.1015 0.3204
Schistosoma mansoni inositol monophosphatase 0.0079 0.0094 0.0089
Loa Loa (eye worm) transcription factor SMAD2 0.0374 0.1461 0.462
Echinococcus multilocularis geminin 0.017 0.0515 0.0505
Brugia malayi Pre-SET motif family protein 0.0425 0.1699 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0425 0.1699 0.5373
Echinococcus multilocularis inositol monophosphatase 1 0.0079 0.0094 0.0084
Echinococcus multilocularis GA binding protein alpha chain 0.0079 0.0093 0.0082
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.0276 0.0276
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.001 0.001
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0079 0.0094 0.5
Brugia malayi RNA binding protein 0.0208 0.0692 0.4048
Loa Loa (eye worm) fli-1 protein 0.0239 0.0836 0.2636
Brugia malayi TAR-binding protein 0.0208 0.0692 0.4048
Loa Loa (eye worm) hypothetical protein 0.0739 0.3157 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0007 0.0007
Schistosoma mansoni tar DNA-binding protein 0.0208 0.0692 0.0687
Schistosoma mansoni calcium-activated potassium channel 0.0739 0.3157 0.3154
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0079 0.0094 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0079 0.0093 0.0279
Echinococcus granulosus geminin 0.017 0.0515 0.0515
Brugia malayi hypothetical protein 0.015 0.0422 0.2454
Echinococcus multilocularis small conductance calcium activated potassium 0.0739 0.3157 0.315
Echinococcus multilocularis microtubule associated protein 2 0.2214 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.001 0.0006
Loa Loa (eye worm) MH2 domain-containing protein 0.0374 0.1461 0.462
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0071 0.0056 0.5
Schistosoma mansoni thyroid hormone receptor 0.0593 0.2481 0.2477
Schistosoma mansoni lipoxygenase 0.0118 0.0276 0.0271
Echinococcus multilocularis tar DNA binding protein 0.0208 0.0692 0.0682
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0549 0.2276 0.2268
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0079 0.0094 0.5
Schistosoma mansoni hypothetical protein 0.017 0.0515 0.051
Loa Loa (eye worm) hypothetical protein 0.0067 0.004 0.0111
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0079 0.0094 0.5
Schistosoma mansoni microtubule-associated protein tau 0.2214 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.0276 0.0265
Brugia malayi Pre-SET motif family protein 0.0061 0.001 0.002
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0079 0.0094 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0549 0.2276 0.2276
Schistosoma mansoni hypothetical protein 0.0739 0.3157 0.3154
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.001 0.0006
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0208 0.0692 0.2179
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.001 0.0006
Brugia malayi MH2 domain containing protein 0.0374 0.1461 0.8596
Loa Loa (eye worm) RNA binding protein 0.0208 0.0692 0.2179

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) 19.9526 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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