Detailed information for compound 1285878

Basic information

Technical information
  • TDR Targets ID: 1285878
  • Name: methyl 5-(phenylsulfonylamino)furan-2-carboxy late
  • MW: 281.284 | Formula: C12H11NO5S
  • H donors: 1 H acceptors: 3 LogP: 2.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(o1)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C12H11NO5S/c1-17-12(14)10-7-8-11(18-10)13-19(15,16)9-5-3-2-4-6-9/h2-8,13H,1H3
  • InChiKey: BEHKUWDFUJBNDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(phenylsulfonylamino)-2-furancarboxylic acid methyl ester
  • 5-(phenylsulfonylamino)furan-2-carboxylic acid methyl ester
  • MLS000755278
  • SMR000338158
  • methyl 5-[(phenylsulfonyl)amino]-2-furoate
  • ZINC03997376
  • 11P-339S

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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.3875 0.3875
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.2613 0.7399
Trichomonas vaginalis chromobox protein, putative 0.0068 0.839 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.7197 0.5423
Trichomonas vaginalis chromobox protein, putative 0.0041 0.3173 0.3419
Echinococcus granulosus tar DNA binding protein 0.0062 0.7197 0.5423
Toxoplasma gondii hypothetical protein 0.0026 0.0328 0.0328
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.3173 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1021 0.1021
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.4916 0.4744
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.4916 0.5
Brugia malayi RNA binding protein 0.0062 0.7197 0.7197
Loa Loa (eye worm) hypothetical protein 0.0038 0.2613 0.2613
Echinococcus multilocularis chromobox protein 1 0.0068 0.839 0.7372
Schistosoma mansoni tar DNA-binding protein 0.0062 0.7197 0.5423
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.2613 0.2714
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.839 0.839
Schistosoma mansoni chromobox protein 0.0068 0.839 0.7372
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0328 0.0328
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.7197 0.7197
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0328 0.0328
Loa Loa (eye worm) RNA binding protein 0.0062 0.7197 0.7197
Brugia malayi chromobox protein homolog 3 0.0038 0.2613 0.2613
Schistosoma mansoni tar DNA-binding protein 0.0062 0.7197 0.5423
Echinococcus multilocularis tar DNA binding protein 0.0062 0.7197 0.5423
Trichomonas vaginalis chromobox protein, putative 0.0068 0.839 1
Echinococcus multilocularis chromobox protein 1 0.0068 0.839 0.7372
Schistosoma mansoni chromobox protein 0.0068 0.839 0.7372
Echinococcus granulosus chromobox protein 1 0.0068 0.839 0.7372
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.2613 0.2714
Brugia malayi TAR-binding protein 0.0062 0.7197 0.7197
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.4916 0.17
Schistosoma mansoni tar DNA-binding protein 0.0062 0.7197 0.5423
Echinococcus granulosus chromobox protein 1 0.0068 0.839 0.7372
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.4916 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.7197 0.7197
Echinococcus granulosus peptidase Clp S14 family 0.005 0.4916 0.17
Schistosoma mansoni tar DNA-binding protein 0.0062 0.7197 0.5423
Trichomonas vaginalis chromobox protein, putative 0.0041 0.3173 0.3419
Brugia malayi Heterochromatin protein 1 0.0068 0.839 0.839
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.3875 0.3875
Loa Loa (eye worm) TAR-binding protein 0.0062 0.7197 0.7197

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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