Detailed information for compound 434465

Basic information

Technical information
  • TDR Targets ID: 434465
  • Name: methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl) phenyl]carbamoylamino]phenyl]sulfonyl-1H-benz imidazol-2-yl]carbamate
  • MW: 551.47 | Formula: C23H17F4N5O5S
  • H donors: 4 H acceptors: 5 LogP: 3.74 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)(=O)c1ccc(cc1)NC(=O)Nc1cc(ccc1F)C(F)(F)F
  • InChi: 1S/C23H17F4N5O5S/c1-37-22(34)32-20-29-17-9-7-15(11-19(17)30-20)38(35,36)14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
  • InChiKey: RJOBEDHRAOYOQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[6-[4-[[[2-fluoro-5-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]sulfonyl-1H-benzimidazol-2-yl]carbamic acid methyl ester
  • N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonyl-1H-benzimidazol-2-yl]carbamic acid methyl ester
  • N-[6-[4-[[[[2-fluoro-5-(trifluoromethyl)phenyl]amino]-oxomethyl]amino]phenyl]sulfonyl-1H-benzimidazol-2-yl]carbamic acid methyl ester

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0006 0.0653 0.0794
Loa Loa (eye worm) TAR-binding protein 0.002 0.3293 1
Entamoeba histolytica hypothetical protein 0.0002 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.002 0.3293 1
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0004 0.0425 0.5
Schistosoma mansoni tar DNA-binding protein 0.002 0.3293 1
Brugia malayi RNA binding protein 0.002 0.3293 1
Leishmania major hypothetical protein, conserved 0.0004 0.0425 0.5
Entamoeba histolytica hypothetical protein 0.0002 0 0.5
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0004 0.0425 0.5
Schistosoma mansoni tar DNA-binding protein 0.002 0.3293 1
Schistosoma mansoni ephrin receptor 0.0006 0.0653 0.0794
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0004 0.0425 0.5
Schistosoma mansoni tar DNA-binding protein 0.002 0.3293 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0006 0.0653 0.0794
Echinococcus granulosus tar DNA binding protein 0.002 0.3293 1
Entamoeba histolytica protein kinase, putative 0.0002 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.002 0.3293 1
Entamoeba histolytica hypothetical protein 0.0002 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.002 0.3293 1
Entamoeba histolytica leucine-rich repeat domain-containing protein 0.0002 0 0.5
Loa Loa (eye worm) RNA binding protein 0.002 0.3293 1
Brugia malayi RNA recognition motif domain containing protein 0.002 0.3293 1
Schistosoma mansoni tar DNA-binding protein 0.002 0.3293 1
Brugia malayi TAR-binding protein 0.002 0.3293 1
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0.0425 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 120 nM Inhibition of GST-tagged human recombinant TIE2 expressed in baculovirus ChEMBL. 17676829
IC50 (binding) = 120 nM Inhibition of GST-tagged human recombinant TIE2 expressed in baculovirus ChEMBL. 17676829
IC50 (binding) = 160 nM Inhibition of TIE-2/c-fms chimeric protein expressed in mouse 3T3 cells assessed as autophosphorylation level by ELISA ChEMBL. 17676829
IC50 (binding) = 160 nM Inhibition of TIE-2/c-fms chimeric protein expressed in mouse 3T3 cells assessed as autophosphorylation level by ELISA ChEMBL. 17676829
IC50 (binding) > 20000 nM Inhibition of GST-tagged human recombinant VEGFR2 expressed in baculovirus ChEMBL. 17676829
IC50 (binding) > 20000 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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