Detailed information for compound 1490859

Basic information

Technical information
  • TDR Targets ID: 1490859
  • Name: 2-methyl-5-[[3-(tetrazol-1-yl)phenyl]sulfamoy l]benzoic acid
  • MW: 359.36 | Formula: C15H13N5O4S
  • H donors: 2 H acceptors: 7 LogP: 1.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(ccc1C)S(=O)(=O)Nc1cccc(c1)n1cnnn1
  • InChi: 1S/C15H13N5O4S/c1-10-5-6-13(8-14(10)15(21)22)25(23,24)17-11-3-2-4-12(7-11)20-9-16-18-19-20/h2-9,17H,1H3,(H,21,22)
  • InChiKey: UTQBTSPJLCKPGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-5-[[3-(1-tetrazolyl)phenyl]sulfamoyl]benzoic acid
  • 2-methyl-5-[[3-(1,2,3,4-tetrazol-1-yl)phenyl]sulfamoyl]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Echinococcus multilocularis hormone sensitive lipase 0.0932 0.9502 0.9502
Plasmodium falciparum importin beta, putative 0.0028 0 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0932 0.9502 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0 0.5
Echinococcus granulosus geminin 0.0166 0.1444 0.152
Entamoeba histolytica hypothetical protein 0.0043 0.0161 0.5
Loa Loa (eye worm) hypothetical protein 0.0932 0.9502 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.2865 0.3015
Entamoeba histolytica hypothetical protein 0.0043 0.0161 0.5
Plasmodium vivax importin-beta 2, putative 0.0028 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0161 0.0169
Brugia malayi RNA, U transporter 1 0.008 0.0546 1
Entamoeba histolytica hypothetical protein 0.0043 0.0161 0.5
Brugia malayi hypothetical protein 0.0043 0.0161 0.2943
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0932 0.9502 1
Entamoeba histolytica hypothetical protein 0.0043 0.0161 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0932 0.9502 1
Schistosoma mansoni hypothetical protein 0.0166 0.1444 0.152
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0 0.5
Echinococcus multilocularis geminin 0.0166 0.1444 0.1444
Echinococcus granulosus snurportin 1 0.0301 0.2865 0.3015
Schistosoma mansoni hypothetical protein 0.0043 0.0161 0.0169
Schistosoma mansoni hypothetical protein 0.0301 0.2865 0.3015
Echinococcus multilocularis snurportin 1 0.0301 0.2865 0.2865
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0161 0.0161
Echinococcus granulosus hormone sensitive lipase 0.0932 0.9502 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0161 0.0169
Schistosoma mansoni hypothetical protein 0.0166 0.1444 0.152

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 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) 12.99 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 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

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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