Detailed information for compound 1448669

Basic information

Technical information
  • TDR Targets ID: 1448669
  • Name: 2-[[2-oxo-2-[(2,3,4-trifluorophenyl)amino]eth yl]-propylamino]-N-(3-sulfamoylphenyl)acetami de
  • MW: 458.455 | Formula: C19H21F3N4O4S
  • H donors: 3 H acceptors: 4 LogP: 1.83 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(CC(=O)Nc1ccc(c(c1F)F)F)CC(=O)Nc1cccc(c1)S(=O)(=O)N
  • InChi: 1S/C19H21F3N4O4S/c1-2-8-26(11-17(28)25-15-7-6-14(20)18(21)19(15)22)10-16(27)24-12-4-3-5-13(9-12)31(23,29)30/h3-7,9H,2,8,10-11H2,1H3,(H,24,27)(H,25,28)(H2,23,29,30)
  • InChiKey: BCUTVSLEXUTQMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-propyl-amino]-N-(3-sulfamoylphenyl)acetamide
  • 2-[[2-keto-2-[(2,3,4-trifluorophenyl)amino]ethyl]-propyl-amino]-N-(3-sulfamoylphenyl)acetamide
  • 2-[[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-propyl-amino]-N-(3-sulfamoylphenyl)ethanamide
  • T5326302
  • MLS000761164
  • SMR000365286

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Loa Loa (eye worm) hexokinase type II 0.0456 1 1
Onchocerca volvulus 0.0286 0.5967 0.5954
Echinococcus granulosus hexokinase 0.0456 1 1
Trypanosoma cruzi hexokinase, putative 0.0456 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.2618 0.2594
Loa Loa (eye worm) hypothetical protein 0.0145 0.2618 0.2594
Trypanosoma brucei hexokinase 0.0456 1 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5139 0.5124
Trypanosoma brucei hexokinase, putative 0.0456 1 0.5
Echinococcus granulosus hexokinase 0.0456 1 1
Brugia malayi Pre-SET motif family protein 0.0251 0.5139 0.5124
Plasmodium falciparum hexokinase 0.0456 1 0.5
Brugia malayi Hexokinase family protein 0.0456 1 1
Onchocerca volvulus 0.0456 1 1
Leishmania major hexokinase, putative 0.0456 1 0.5
Trypanosoma brucei hexokinase 0.0456 1 0.5
Treponema pallidum hexokinase (hxk) 0.0456 1 0.5
Brugia malayi Hexokinase family protein 0.0286 0.5967 0.5954
Brugia malayi Hexokinase family protein 0.0141 0.2525 0.2502
Echinococcus multilocularis hexokinase type 2 0.0456 1 1
Loa Loa (eye worm) hexokinase 0.0286 0.5967 0.5954
Onchocerca volvulus Hexokinase homolog 0.0286 0.5967 0.5954
Brugia malayi hexokinase type II 0.0145 0.2618 0.2594
Plasmodium vivax hexokinase, putative 0.0456 1 1
Echinococcus granulosus hexokinase type 2 0.0456 1 1
Echinococcus multilocularis hexokinase 0.0456 1 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.6559 0.6548
Onchocerca volvulus 0.0286 0.5963 0.595
Schistosoma mansoni hexokinase 0.0456 1 1
Leishmania major hexokinase, putative 0.0456 1 0.5
Echinococcus multilocularis hexokinase 0.0456 1 1
Toxoplasma gondii hexokinase 0.0456 1 1
Loa Loa (eye worm) hexokinase 0.0141 0.2525 0.2502
Loa Loa (eye worm) hexokinase 0.0456 1 1
Onchocerca volvulus 0.0456 1 1
Trypanosoma cruzi hexokinase, putative 0.0456 1 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0031 0.0031
Onchocerca volvulus 0.0456 1 1
Echinococcus multilocularis hexokinase 0.0456 1 1
Entamoeba histolytica hexokinase 2 0.0456 1 0.5
Echinococcus granulosus hexokinase 0.0456 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5963 0.5
Loa Loa (eye worm) hexokinase 0.0456 1 1
Entamoeba histolytica hexokinase 1 0.0456 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) 32.6427 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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

No literature references available for this target.

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