Detailed information for compound 1814074

Basic information

Technical information
  • TDR Targets ID: 1814074
  • Name: N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethyl -N'-(phenylmethoxysulfanyl)benzohydrazide
  • MW: 490.657 | Formula: C29H34N2O3S
  • H donors: 0 H acceptors: 2 LogP: 7.22 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C(=O)N(N(C(C)(C)C)C(=O)c1cc(C)cc(c1)C)SOCc1ccccc1
  • InChi: 1S/C29H34N2O3S/c1-7-23-13-15-25(16-14-23)28(33)31(35-34-20-24-11-9-8-10-12-24)30(29(4,5)6)27(32)26-18-21(2)17-22(3)19-26/h8-19H,7,20H2,1-6H3
  • InChiKey: QOLRYXAHFKLTCH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[tert-butyl-[[(4-ethylphenyl)-oxomethyl]-(phenylmethoxythio)amino]amino]-oxomethyl]-3,5-dimethylbenzene
  • N'-(benzyloxythio)-N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethyl-benzohydrazide
  • N-tert-butyl-N'-(4-ethylphenyl)carbonyl-3,5-dimethyl-N'-(phenylmethoxysulfanyl)benzohydrazide

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
Trichomonas vaginalis rotamase, putative 0.0071 0.0038 0.0387
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0022 0.0003 0.0004
Mycobacterium ulcerans thymidylate synthase 0.2939 0.2081 0.2079
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.2939 0.2081 0.2079
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.9282 0.66 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0058 0.0029 0.0026
Echinococcus granulosus General substrate transporter 0.005 0.0023 0.002
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0022 0.0003 1
Loa Loa (eye worm) sugar transporter 0.0058 0.0029 0.0026
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0071 0.0038 0.0035
Schistosoma mansoni dihydrofolate reductase 1.4054 1 1
Chlamydia trachomatis dihydrofolate reductase 1.4054 1 1
Onchocerca volvulus 0.0029 0.0007 0.0023
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0058 0.0029 0.0026
Schistosoma mansoni glucose transport protein 0.0058 0.0029 0.0026
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.9282 0.66 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0117 0.0071 0.0068
Schistosoma mansoni rotamase 0.0071 0.0038 0.0035
Brugia malayi Trypsin family protein 0.0117 0.0071 0.0068
Mycobacterium ulcerans dihydrofolate reductase DfrA 1.4054 1 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.2939 0.2081 0.2079
Echinococcus multilocularis thymidylate synthase 0.2939 0.2081 0.2079
Trypanosoma brucei oxidoreductase-like protein 0.0029 0.0007 0.0011
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.1398 0.0983 0.149
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0022 0.0003 0.0004
Plasmodium vivax hexose transporter 0.0058 0.0029 0.0039
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0029 0.0007 0.0005
Schistosoma mansoni hypothetical protein 0.0058 0.0029 0.0026
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0058 0.0029 0.0026
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.007 0.0037 1
Leishmania major pteridine reductase 1 0.0515 0.0354 0.0536
Schistosoma mansoni glucose transport protein 0.0058 0.0029 0.0026
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0022 0.0003 0.0004
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.007 0.0037 0.0056
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.9282 0.66 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.2939 0.2081 0.2079
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0029 0.0007 0.0011
Loa Loa (eye worm) hypothetical protein 0.0117 0.0071 0.0068
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0022 0.0003 0.0004
Brugia malayi Sugar transporter family protein 0.0058 0.0029 0.0026
Brugia malayi hypothetical protein 0.1398 0.0983 0.0981
Brugia malayi thymidylate synthase 0.2939 0.2081 0.2079
Leishmania major dihydrofolate reductase-thymidylate synthase 0.9282 0.66 1
Mycobacterium tuberculosis Hypothetical protein 0.1398 0.0983 0.0981
Mycobacterium ulcerans short chain dehydrogenase 0.0029 0.0007 0.0005
Echinococcus multilocularis dihydrofolate reductase 1.4054 1 1
Onchocerca volvulus 0.2939 0.2081 1
Echinococcus granulosus dihydrofolate reductase 1.4054 1 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0058 0.0029 0.0039
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.9282 0.66 1
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0029 0.0291
Toxoplasma gondii peptidylprolyl isomerase 0.007 0.0037 0.0052
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0029 0.0007 0.0005
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0022 0.0003 0.0004
Brugia malayi Dihydrofolate reductase 1.4054 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.007 0.0037 0.0056
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0022 0.0003 0.0004
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0029 0.0007 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0038 0.0387
Trichomonas vaginalis rotamase, putative 0.007 0.0037 0.0374
Onchocerca volvulus 0.0117 0.0071 0.0327
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0022 0.0003 0.0004
Loa Loa (eye worm) dihydrofolate reductase 1.4054 1 1
Plasmodium falciparum hexose transporter 0.0058 0.0029 0.0039
Onchocerca volvulus 0.0109 0.0065 0.0298
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0058 0.0029 0.0026
Echinococcus granulosus thymidylate synthase 0.2939 0.2081 0.2079
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0071 0.0038 0.0035
Loa Loa (eye worm) hypothetical protein 0.0117 0.0071 0.0068
Loa Loa (eye worm) thymidylate synthase 0.2939 0.2081 0.2079
Leishmania major oxidoreductase-like protein 0.0029 0.0007 0.0011
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0022 0.0003 0.0004
Schistosoma mansoni glucose transport protein 0.0058 0.0029 0.0026
Trypanosoma brucei pteridine reductase 1 0.0508 0.0349 0.0529
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 1.4054 1 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0022 0.0003 0.0004
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.007 0.0037 0.0056
Mycobacterium tuberculosis Probable oxidoreductase 0.0029 0.0007 0.0005
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0058 0.0029 0.0026
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0058 0.0029 0.0026
Trichomonas vaginalis hypothetical protein 0.0022 0.0003 0.0027
Echinococcus multilocularis expressed protein 0.0071 0.0038 0.0035
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0058 0.0029 0.0026
Echinococcus multilocularis General substrate transporter 0.005 0.0023 0.002
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0029 0.0007 0.0005
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0022 0.0003 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.1398 0.0983 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0058 0.0029 0.0026
Echinococcus granulosus expressed protein 0.0071 0.0038 0.0035
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0022 0.0003 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0117 0.0071 0.0068
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 1.4054 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.007 0.0037 0.0056
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.9282 0.66 1

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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