Detailed information for compound 1442000

Basic information

Technical information
  • TDR Targets ID: 1442000
  • Name: 2-[(4-fluoro-3-methylphenyl)sulfonylamino]ben zoic acid
  • MW: 309.313 | Formula: C14H12FNO4S
  • H donors: 2 H acceptors: 4 LogP: 2.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccccc1NS(=O)(=O)c1ccc(c(c1)C)F
  • InChi: 1S/C14H12FNO4S/c1-9-8-10(6-7-12(9)15)21(19,20)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)
  • InChiKey: AJKYFGLLAORHRC-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(4-fluoro-3-methyl-phenyl)sulfonylamino]benzoic acid
  • AQ-390/42699068
  • NCGC00093414-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0512 1 1
Loa Loa (eye worm) FKBP5 protein 0.0512 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0158 0.1487 0.1487
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.6104 0.6074
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0375 0.6698 0.6121
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0512 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.3801 0.3751
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.6104 0.6074
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0442 0.8307 0.8011
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0471 0.9001 0.8827
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0223 0.3043 0.1827
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0471 0.9001 0.8827
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0375 0.6698 0.6121
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0512 1 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0471 0.9001 0.9001
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0442 0.8307 0.8011
Leishmania major fk506-binding protein 1-like protein 0.0512 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0512 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0512 1 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0471 0.9001 0.8827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1487 0.142
Toxoplasma gondii target of rapamycin (TOR), putative 0.035 0.6104 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.9001 0.8994
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.9001 0.8994
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.3801 0.3751
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0471 0.9001 0.8827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.3791 0.3742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0126 0.0729 0.0656
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.3801 0.3751
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0512 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0471 0.9001 0.8827
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.4451 0.4407
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.9001 0.8994
Trichomonas vaginalis PIKK family atypical protein kinase 0.0316 0.5279 0.5242
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0471 0.9001 0.8827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.6688 0.6662
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0195 0.2392 0.1062
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0512 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0512 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0512 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0471 0.9001 0.8827
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0471 0.9001 0.8827
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.6104 0.6074
Trichomonas vaginalis immunophilin, putative 0.0512 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0512 1 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0512 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.4451 0.4407
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0512 1 0.5
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0512 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.3801 0.3751
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.6104 0.6074
Loa Loa (eye worm) hypothetical protein 0.0442 0.8307 0.8307
Leishmania major peptidylprolyl isomerase-like protein 0.0512 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0471 0.9001 0.8827
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.6104 0.6074
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0512 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1487 0.142
Schistosoma mansoni immunophilin 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1487 0.142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.6688 0.6662
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.4451 0.4407
Trichomonas vaginalis PIKK family atypical protein kinase 0.0306 0.5035 0.4996
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.4384 0.434
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.4384 0.434
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0512 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0471 0.9001 0.8827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.3791 0.3742
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1487 0.142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0402 0.7348 0.7327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1487 0.142
Trichomonas vaginalis fk506-binding protein, putative 0.0512 1 1
Schistosoma mansoni immunophilin 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.6688 0.6662
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.3791 0.3742
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.6104 0.6074
Loa Loa (eye worm) hypothetical protein 0.0099 0.0079 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.6104 0.6074
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.6688 0.6662
Schistosoma mansoni immunophilin 0.0442 0.8307 0.8011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.6688 0.6662
Trypanosoma cruzi target of rapamycin kinase 3 0.0375 0.6698 0.6121
Echinococcus multilocularis fk506 binding protein 0.0512 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) 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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