Detailed information for compound 1392023

Basic information

Technical information
  • TDR Targets ID: 1392023
  • Name: ethyl 2-[[[(4-chlorophenyl)sulfonylamino]-phe nylmethylidene]amino]acetate
  • MW: 380.846 | Formula: C17H17ClN2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.52 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CN=C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C17H17ClN2O4S/c1-2-24-16(21)12-19-17(13-6-4-3-5-7-13)20-25(22,23)15-10-8-14(18)9-11-15/h3-11H,2,12H2,1H3,(H,19,20)
  • InChiKey: ALKQCJAYMDFGMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[[[(4-chlorophenyl)sulfonylamino]-phenyl-methylene]amino]acetate
  • 2-[[[(4-chlorophenyl)sulfonylamino]-phenylmethylene]amino]acetic acid ethyl ester
  • 2-[[[(4-chlorophenyl)sulfonylamino]-phenyl-methylene]amino]acetic acid ethyl ester
  • ethyl 2-[[[(4-chlorophenyl)sulfonylamino]-phenyl-methylidene]amino]ethanoate
  • MLS000663197
  • SMR000301019
  • ethyl N-[{[(4-chlorophenyl)sulfonyl]imino}(phenyl)methyl]glycinate
  • ZINC02709148

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
Onchocerca volvulus 0.0092 0.1305 1
Loa Loa (eye worm) hypothetical protein 0.0569 0.8565 0.8629
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0091 0.1287 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.1287 0.1297
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0091 0.1287 0.1297
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0659 0.9926 1
Leishmania major fk506-binding protein 1-like protein 0.0659 0.9926 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0091 0.1287 0.5
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0091 0.1287 0.1297
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0659 0.9926 1
Trichomonas vaginalis fk506-binding protein, putative 0.0091 0.1287 0.1297
Loa Loa (eye worm) FKBP5 protein 0.0659 0.9926 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0091 0.1287 0.1297
Schistosoma mansoni hypothetical protein 0.0091 0.1287 0.1287
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.066 0.9944 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0091 0.1287 0.1287
Trichomonas vaginalis fk506-binding protein, putative 0.0091 0.1287 0.1297
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0663 1 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0659 0.9926 0.9926
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0091 0.1287 0.5
Leishmania major hypothetical protein, conserved 0.0006 0.0000069562 0.0000070079
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0091 0.1287 0.1297
Trichomonas vaginalis immunophilin, putative 0.0659 0.9926 1
Schistosoma mansoni immunophilin 0.0573 0.8621 0.8621
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0659 0.9926 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0659 0.9926 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0091 0.1287 0.5
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0659 0.9926 1
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0091 0.1287 0.1297
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0659 0.9926 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1287 0.1297
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0091 0.1287 0.1297
Trichomonas vaginalis fk506-binding protein, putative 0.0659 0.9926 1
Echinococcus multilocularis 0.0091 0.1287 0.1287
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0091 0.1287 0.5
Onchocerca volvulus 0.0091 0.1287 0.9866
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0659 0.9926 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0659 0.9926 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0659 0.9926 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0659 0.9926 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0663 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.1287 0.1297
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0091 0.1287 0.5
Leishmania major peptidylprolyl isomerase-like protein 0.0659 0.9926 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0659 0.9926 1
Trichomonas vaginalis fk506 binding protein, putative 0.0091 0.1287 0.1297
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0091 0.1287 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0659 0.9926 0.998
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0091 0.1287 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0573 0.8621 0.8621
Echinococcus multilocularis fk506 binding protein 0.0659 0.9926 0.9926
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0659 0.9926 0.9926
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0663 1 1
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0091 0.1287 0.1297
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0659 0.9926 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0091 0.1287 0.5
Schistosoma mansoni fk506 binding protein 0.0091 0.1287 0.1287
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0659 0.9926 1
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0091 0.1287 0.1297
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0095 0.1361 0.1361
Trypanosoma brucei hypothetical protein, conserved 0.0091 0.1287 0.1297
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0573 0.8621 0.8621
Echinococcus granulosus FK506 binding protein 2 0.0091 0.1287 0.1287
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0091 0.1287 0.1297
Schistosoma mansoni immunophilin 0.0663 1 1
Schistosoma mansoni immunophilin 0.0663 1 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0659 0.9926 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0659 0.9926 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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