Detailed information for compound 1443023

Basic information

Technical information
  • TDR Targets ID: 1443023
  • Name: 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N -(oxolan-2-ylmethyl)acetamide
  • MW: 333.409 | Formula: C15H19N5O2S
  • H donors: 1 H acceptors: 4 LogP: 2.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nnnn1c1cccc(c1)C)NCC1CCCO1
  • InChi: 1S/C15H19N5O2S/c1-11-4-2-5-12(8-11)20-15(17-18-19-20)23-10-14(21)16-9-13-6-3-7-22-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H,16,21)
  • InChiKey: BODQQOJPCRAIHL-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide
  • 2-[[1-(3-methylphenyl)-5-tetrazolyl]thio]-N-(2-tetrahydrofuranylmethyl)acetamide
  • 2-[[1-(3-methylphenyl)tetrazol-5-yl]thio]-N-(tetrahydrofurfuryl)acetamide
  • 2-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide
  • T5268598
  • MLS000516860
  • SMR000342993

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
Toxoplasma gondii adhesion regulating molecule region protein, putative 0.0094 0.0513 0.0119
Trypanosoma brucei proteasome beta 6 subunit 0.0236 0.2651 0.2346
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.016 0.1504 0.1151
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0236 0.2651 0.2346
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.016 0.1504 0.1151
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0236 0.2651 0.2346
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0726 1 1
Brugia malayi proteasome subunit beta type 1 0.0236 0.2651 0.2346
Plasmodium vivax proteasome subunit beta type-1, putative 0.0236 0.2651 0.2346
Echinococcus granulosus adhesion regulating molecule 1 0.0094 0.0513 0.0119
Leishmania major proteasome beta 2 subunit, putative 0.016 0.1504 0.1151
Brugia malayi Adhesion regulating molecule conserved region family protein 0.0094 0.0513 0.0119
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0236 0.2651 0.2346
Onchocerca volvulus Notchless protein homolog 0.0086 0.0399 1
Trypanosoma brucei proteasome subunit beta type-2, putative 0.016 0.1504 0.1151
Schistosoma mansoni adhesion regulating molecule 1 (110 kD cell membrane glycoprotein) 0.0094 0.0513 0.0119
Loa Loa (eye worm) proteasome subunit beta type 1 0.0236 0.2651 0.2346
Echinococcus granulosus proteasome prosome macropain 0.0726 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0236 0.2651 0.2346
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.016 0.1504 0.1151
Plasmodium falciparum proteasome subunit beta type-2, putative 0.016 0.1504 0.1151
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0236 0.2651 0.2346
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.016 0.1504 0.1151
Brugia malayi proteasome subunit beta type 2 0.016 0.1504 0.1151
Leishmania major proteasome beta 5 subunit, putative 0.0726 1 1
Mycobacterium ulcerans proteasome PrcB 0.0726 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0726 1 1
Toxoplasma gondii proteasome subunit beta type, putative 0.0726 1 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.016 0.1504 0.1151
Trypanosoma cruzi 20S proteasome subunit 0.016 0.1504 0.1151
Plasmodium falciparum proteasome subunit beta type-5 0.0726 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0726 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.016 0.1504 0.1151
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0726 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0086 0.0399 0.5
Giardia lamblia Proteasome subunit beta type 2 0.016 0.1504 0.1151
Echinococcus multilocularis proteasome (prosome, macropain) 0.0726 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0726 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0236 0.2651 0.2346
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0236 0.2651 0.2346
Plasmodium vivax proteasome subunit beta type-5, putative 0.0726 1 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0726 1 1
Toxoplasma gondii proteasome subunit beta type 2, putative 0.016 0.1504 0.1151
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0236 0.2651 0.2346
Plasmodium vivax proteasome subunit beta type-2, putative 0.016 0.1504 0.1151
Giardia lamblia Proteasome subunit beta type 1 0.0236 0.2651 0.2346
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0726 1 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0726 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0726 1 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0236 0.2651 0.2346
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0726 1 1
Loa Loa (eye worm) proteasome subunit beta type 2 0.016 0.1504 0.1151
Echinococcus granulosus proteasome prosome macropain subunit beta 0.016 0.1504 0.1151
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0236 0.2651 0.2346
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.016 0.1504 0.1151
Echinococcus multilocularis adhesion regulating molecule 1 0.0094 0.0513 0.0119
Loa Loa (eye worm) hypothetical protein 0.0094 0.0513 0.0119

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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
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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