Detailed information for compound 1389925

Basic information

Technical information
  • TDR Targets ID: 1389925
  • Name: [2-[(4-methylphenyl)amino]-2-oxoethyl] 4-(fur an-2-ylmethylsulfamoyl)benzoate
  • MW: 428.458 | Formula: C21H20N2O6S
  • H donors: 2 H acceptors: 4 LogP: 2.6 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C)COC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1
  • InChi: 1S/C21H20N2O6S/c1-15-4-8-17(9-5-15)23-20(24)14-29-21(25)16-6-10-19(11-7-16)30(26,27)22-13-18-3-2-12-28-18/h2-12,22H,13-14H2,1H3,(H,23,24)
  • InChiKey: XBQXGLSPEDIIRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(4-methylphenyl)amino]-2-oxo-ethyl] 4-(2-furylmethylsulfamoyl)benzoate
  • 4-(2-furylmethylsulfamoyl)benzoic acid [2-[(4-methylphenyl)amino]-2-oxoethyl] ester
  • 4-(2-furylmethylsulfamoyl)benzoic acid [2-keto-2-[(4-methylphenyl)amino]ethyl] ester
  • [2-[(4-methylphenyl)amino]-2-oxo-ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
  • ZINC03430639
  • T5383290

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
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
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0368 0.98 0.98
Plasmodium vivax casein kinase 1, putative 0.0375 1 0.5
Trypanosoma cruzi casein kinase, putative 0.0375 1 1
Trypanosoma brucei casein kinase I, isoform 2 0.0375 1 1
Echinococcus multilocularis casein kinase I alpha 0.0375 1 1
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0375 1 1
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.0375 1 1
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0375 1 1
Trypanosoma cruzi casein kinase, putative 0.0375 1 1
Loa Loa (eye worm) protein kinase domain-containing protein 0.0329 0.8519 0.8519
Trypanosoma cruzi casein kinase, putative 0.0375 1 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0066 0 0.5
Trypanosoma cruzi casein kinase, putative 0.0375 1 1
Echinococcus granulosus casein kinase I gamma 0.0329 0.8519 0.8519
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0066 0 0.5
Echinococcus multilocularis casein kinase I alpha 0.0375 1 1
Entamoeba histolytica casein kinase, putative 0.0375 1 1
Echinococcus granulosus casein kinase I alpha 0.0375 1 1
Echinococcus multilocularis casein kinase I alpha 0.0375 1 1
Trichomonas vaginalis CK1 family protein kinase 0.0375 1 1
Trichomonas vaginalis CK1 family protein kinase 0.0375 1 1
Brugia malayi Protein kinase domain containing protein 0.0329 0.8519 0.8519
Onchocerca volvulus 0.0375 1 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0066 0 0.5
Echinococcus granulosus casein kinase I delta 0.0375 1 1
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.0375 1 1
Echinococcus granulosus casein kinase i 0.0375 1 1
Entamoeba histolytica casein kinase 1, putative 0.0375 1 1
Brugia malayi casein kinase I 0.0375 1 1
Plasmodium falciparum casein kinase 1 0.0375 1 0.5
Leishmania major casein kinase, putative 0.0375 1 1
Giardia lamblia Kinase, CK1 Casein kinase 0.0375 1 0.5
Loa Loa (eye worm) casein kinase 0.0323 0.8319 0.8319
Trichomonas vaginalis CK1 family protein kinase 0.0375 1 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0066 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0375 1 1
Echinococcus multilocularis casein kinase i 0.0375 1 1
Trypanosoma cruzi casein kinase, putative 0.0375 1 1
Echinococcus granulosus casein kinase I delta 0.0375 1 1
Schistosoma mansoni protein kinase 0.0375 1 1
Echinococcus multilocularis casein kinase I delta 0.0375 1 1
Echinococcus multilocularis casein kinase I gamma 0.0329 0.8519 0.8519
Echinococcus multilocularis casein kinase I delta 0.0375 1 1
Toxoplasma gondii casein kinase I 0.0375 1 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0329 0.8519 0.8519
Echinococcus granulosus casein kinase I alpha 0.0375 1 1
Echinococcus granulosus casein kinase I alpha 0.0375 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7569 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] 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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