Detailed information for compound 434515

Basic information

Technical information
  • TDR Targets ID: 434515
  • Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[ [2-(methanesulfonamido)-1,3-benzothiazol-6-yl ]oxy]phenyl]urea
  • MW: 540.51 | Formula: C22H16F4N4O4S2
  • H donors: 3 H acceptors: 4 LogP: 4.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(cc1)Oc1ccc2c(c1)sc(n2)NS(=O)(=O)C
  • InChi: 1S/C22H16F4N4O4S2/c1-36(32,33)30-21-29-17-9-7-15(11-19(17)35-21)34-14-5-3-13(4-6-14)27-20(31)28-18-10-12(22(24,25)26)2-8-16(18)23/h2-11H,1H3,(H,29,30)(H2,27,28,31)
  • InChiKey: MVJOUDCJKKXKMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[2-(methylsulfonylamino)-1,3-benzothiazol-6-yl]oxy]phenyl]urea
  • 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[4-[(2-methanesulfonamido-1,3-benzothiazol-6-yl)oxy]phenyl]urea
  • 3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[4-[[2-(methylsulfonylamino)-1,3-benzothiazol-6-yl]oxy]phenyl]urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References
Homo sapiens TEK tyrosine kinase, endothelial Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
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
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.9305 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0102 0.5273 0.5
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0102 0.5273 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0102 0.5273 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0102 0.5273 1
Schistosoma mansoni cell adhesion molecule 0.0019 0.0484 0.0917
Echinococcus multilocularis neuroglian 0.0014 0.0187 0.0354
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0102 0.5273 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0102 0.5273 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0102 0.5273 0.5
Echinococcus granulosus Immunoglobulin 0.0011 0.0021 0.004
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0102 0.5273 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0021
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.5273 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0272 0.0272
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0102 0.5273 0.5
Schistosoma mansoni vesicular amine transporter 0.0011 0.0021 0.004
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.5273 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0272 0.0272
Echinococcus multilocularis Immunoglobulin 0.0011 0.0021 0.004
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0021 0.004
Loa Loa (eye worm) hypothetical protein 0.0016 0.0272 0.0272
Plasmodium falciparum eukaryotic initiation factor 4A 0.0102 0.5273 0.5
Onchocerca volvulus 0.0167 0.9006 0.9259
Loa Loa (eye worm) hypothetical protein 0.0015 0.0233 0.0233
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0021 0.004
Echinococcus granulosus roundabout 2 0.0022 0.065 0.1232
Echinococcus granulosus twitchin 0.0014 0.0187 0.0354
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0102 0.5273 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0102 0.5273 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 1 1
Brugia malayi hypothetical protein 0.0016 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0018 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0018 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0021
Leishmania major eukaryotic initiation factor 4a, putative 0.0102 0.5273 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0233 0.0441
Plasmodium vivax RNA helicase-1, putative 0.0102 0.5273 0.5
Echinococcus granulosus neuroglian 0.0014 0.0187 0.0354
Echinococcus multilocularis roundabout 2 0.0022 0.065 0.1232
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0102 0.5273 0.5
Brugia malayi eukaryotic initiation factor 4A 0.0102 0.5273 0.5273
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0102 0.5273 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0021 0.004
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0102 0.5273 0.5
Echinococcus granulosus defective proboscis extension response 0.0011 0.0021 0.004
Schistosoma mansoni nephrin 0.0018 0.0438 0.083
Treponema pallidum ATP-dependent RNA helicase 0.0102 0.5273 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0102 0.5273 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0011 0.0021 0.0021
Echinococcus multilocularis Immunoglobulin 0.0011 0.0021 0.004
Brugia malayi Fibronectin type III domain containing protein 0.0016 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0102 0.5273 0.5273

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of TIE-2/c-fms chimeric protein expressed in mouse 3T3 cells assessed as autophosphorylation level by ELISA ChEMBL. 17676829
IC50 (binding) 0 Inhibition of TIE-2/c-fms chimeric protein expressed in mouse 3T3 cells assessed as autophosphorylation level by ELISA ChEMBL. 17676829
IC50 (binding) = 3200 nM Inhibition of GST-tagged human recombinant TIE2 expressed in baculovirus ChEMBL. 17676829
IC50 (binding) = 3200 nM Inhibition of GST-tagged human recombinant TIE2 expressed in baculovirus ChEMBL. 17676829
IC50 (binding) = 4000 nM Inhibition of GST-tagged human recombinant VEGFR2 expressed in baculovirus ChEMBL. 17676829
IC50 (binding) = 4000 nM Inhibition of GST-tagged human recombinant VEGFR2 expressed in baculovirus ChEMBL. 17676829

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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