Detailed information for compound 647507

Basic information

Technical information
  • TDR Targets ID: 647507
  • Name: 2-(4-methylphenyl)-5-[(4-nitrophenyl)methylsu lfanyl]-1,3,4-oxadiazole
  • MW: 327.358 | Formula: C16H13N3O3S
  • H donors: 0 H acceptors: 4 LogP: 3.94 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1nnc(o1)SCc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C16H13N3O3S/c1-11-2-6-13(7-3-11)15-17-18-16(22-15)23-10-12-4-8-14(9-5-12)19(20)21/h2-9H,10H2,1H3
  • InChiKey: MSSGOHFIPOGHGO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole
  • 2-(4-methylphenyl)-5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazole
  • 2-(4-Nitro-benzylsulfanyl)-5-p-tolyl-[1,3,4]oxadiazole
  • BAS 01051486
  • ZINC00272643

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
Trypanosoma brucei trypanothione reductase 0.0037 0.2529 1
Brugia malayi Thioredoxin reductase 0.0037 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0043 0.0169
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0043 0.0169
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.2574 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0043 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0.0312 0.5
Plasmodium falciparum glutathione reductase 0.0037 0.2529 1
Treponema pallidum NADH oxidase 0.0013 0.0312 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0043 0.0169
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0043 0.0169
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.6874 0.8837
Plasmodium vivax glutathione reductase, putative 0.0037 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0043 0.0169
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0043 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0043 0.0169
Brugia malayi ecdysteroid receptor 0.001 0.0043 0.0169
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0312 0.1063
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.2529 1
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0312 0.5
Brugia malayi glutathione reductase 0.0037 0.2529 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0312 0.1063
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0043 0.0169
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.7738 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0312 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0.0312 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0043 0.0169
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0.0312 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.2529 0.2985
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0043 0.0169
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0043 0.0169
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.6874 0.8837
Brugia malayi steroid hormone receptor 0.001 0.0043 0.0169
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0312 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.7738 1
Leishmania major trypanothione reductase 0.0037 0.2529 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0043 0.0169
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0312 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.6874 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0043 0.0169
Loa Loa (eye worm) glutathione reductase 0.0037 0.2529 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.7738 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.7738 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.6874 0.8837
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0.0312 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0043 0.5
Brugia malayi nuclear hormone receptor 0.001 0.0043 0.0169
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0043 0.0169
Mycobacterium tuberculosis Probable reductase 0.0085 0.6874 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0043 0.0169
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.2529 1
Plasmodium falciparum thioredoxin reductase 0.0037 0.2529 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0312 0.1234
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0312 0.027
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.2574 1
Brugia malayi nuclear receptor NHR-88 0.001 0.0043 0.0169
Toxoplasma gondii thioredoxin reductase 0.0037 0.2529 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0312 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.6874 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0043 0.0169
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0043 0.0169
Onchocerca volvulus 0.001 0.0043 0.5

Activities

No activities found for this compound.

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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