Detailed information for compound 1270148

Basic information

Technical information
  • TDR Targets ID: 1270148
  • Name: 2-[dimethylsulfamoyl-(4-methylphenyl)amino]-N -[2-(2-methylphenyl)ethyl]acetamide
  • MW: 389.512 | Formula: C20H27N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.01 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)N(C)C)c1ccc(cc1)C)NCCc1ccccc1C
  • InChi: 1S/C20H27N3O3S/c1-16-9-11-19(12-10-16)23(27(25,26)22(3)4)15-20(24)21-14-13-18-8-6-5-7-17(18)2/h5-12H,13-15H2,1-4H3,(H,21,24)
  • InChiKey: BPDZHTUXIARTIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[dimethylsulfamoyl-(4-methylphenyl)amino]-N-[2-(2-methylphenyl)ethyl]ethanamide
  • NCGC00112002-01
  • C700-2164

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
Loa Loa (eye worm) hypothetical protein 0.0048 0.1351 0.1771
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.7353 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.7353 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0119 0.7629 0.5
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0119 0.7629 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0119 0.7629 1
Brugia malayi Thioredoxin reductase 0.0046 0.1131 0.1483
Mycobacterium tuberculosis Probable reductase 0.0105 0.6321 0.8342
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0119 0.7629 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.6321 0.8342
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0119 0.7629 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0999 0.131
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0999 0.0999
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0999 0.131
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1351 0.1771
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.7353 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0999 0.0999
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1351 0.1771
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0119 0.7629 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1351 0.1771
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0119 0.7629 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0119 0.7629 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1131 0.0199
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.6321 0.8342
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0119 0.7629 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0119 0.7629 1
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0119 0.7629 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0119 0.7629 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1131 0.0199
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0119 0.7629 0.5
Loa Loa (eye worm) glutathione reductase 0.0046 0.1131 0.1483
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0999 0.0999
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.6321 0.8342
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.6321 0.8342
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0119 0.7629 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.6321 0.8342
Brugia malayi glutathione reductase 0.0046 0.1131 0.1483
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0119 0.7629 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0119 0.7629 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.7353 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0119 0.7629 0.7629
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1131 0.1483

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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