Detailed information for compound 806462

Basic information

Technical information
  • TDR Targets ID: 806462
  • Name: N,N-diethyl-2-[(4-methoxyphenyl)-(1,3,5-trime thylpyrazol-4-yl)sulfonylamino]acetamide
  • MW: 408.515 | Formula: C19H28N4O4S
  • H donors: 0 H acceptors: 4 LogP: 1.97 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)c1c(C)nn(c1C)C)CC(=O)N(CC)CC
  • InChi: 1S/C19H28N4O4S/c1-7-22(8-2)18(24)13-23(16-9-11-17(27-6)12-10-16)28(25,26)19-14(3)20-21(5)15(19)4/h9-12H,7-8,13H2,1-6H3
  • InChiKey: WSDPXIVBZCXOSM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-diethyl-2-[(4-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-amino]acetamide
  • N,N-diethyl-2-[(4-methoxyphenyl)-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]amino]acetamide
  • N,N-diethyl-2-[(4-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-amino]ethanamide

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
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0025 0.0323 0.059
Loa Loa (eye worm) RNA binding protein 0.0062 0.139 0.3577
Schistosoma mansoni tar DNA-binding protein 0.0062 0.139 0.3577
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0025 0.0323 0.0323
Echinococcus granulosus tar DNA binding protein 0.0062 0.139 0.3695
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0323 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0323 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.139 0.3577
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0712 0.0598
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0366 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0323 0.0571
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.139 0.3577
Onchocerca volvulus 0.0025 0.0323 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.139 0.3577
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0366 1 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0025 0.0323 0.0323
Echinococcus multilocularis tar DNA binding protein 0.0062 0.139 0.3577
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0366 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0811 0.0811
Brugia malayi RNA binding protein 0.0062 0.139 0.3577
Brugia malayi TAR-binding protein 0.0062 0.139 0.3577
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.3669 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0366 1 1
Loa Loa (eye worm) acetyltransferase 0.0143 0.3669 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0025 0.0323 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0366 1 1
Loa Loa (eye worm) oxidoreductase 0.0025 0.0323 0.0571
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0025 0.0323 0.0205
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0025 0.0323 0.0323
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0811 0.0699
Leishmania major oxidoreductase-like protein 0.0025 0.0323 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.139 0.3577
Leishmania major pteridine reductase 1 0.0025 0.0323 1
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.3669 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0025 0.0323 0.0571
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0025 0.0323 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0025 0.0323 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0712 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0811 0.201
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.3555 1
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0025 0.0323 0.3429
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0323 0.0571
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0811 0.0699
Plasmodium falciparum enoyl-acyl carrier reductase 0.0366 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0025 0.0323 0.0571
Trypanosoma brucei pteridine reductase 1 0.0025 0.0323 1
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0712 1
Onchocerca volvulus 0.0025 0.0323 1
Trichomonas vaginalis hypothetical protein 0.0366 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0025 0.0323 0.0571
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0366 1 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0025 0.0323 1
Schistosoma mansoni dihydropteridine reductase 0.0025 0.0323 0.0571
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0811 0.0504
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0025 0.0323 0.0571
Schistosoma mansoni tar DNA-binding protein 0.0062 0.139 0.3577
Trypanosoma brucei oxidoreductase-like protein 0.0025 0.0323 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.139 0.3577
Loa Loa (eye worm) TAR-binding protein 0.0062 0.139 0.3577
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0025 0.0323 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0811 0.0811
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.3669 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0025 0.0323 0.0571

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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