Detailed information for compound 673801

Basic information

Technical information
  • TDR Targets ID: 673801
  • Name: 4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzen esulfonamide
  • MW: 293.385 | Formula: C14H19N3O2S
  • H donors: 1 H acceptors: 3 LogP: 2.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)S(=O)(=O)Nc1c(C)nn(c1C)C
  • InChi: 1S/C14H19N3O2S/c1-5-12-6-8-13(9-7-12)20(18,19)16-14-10(2)15-17(4)11(14)3/h6-9,16H,5H2,1-4H3
  • InChiKey: XZCBWTZGDZIMRV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-ethyl-N-(1,3,5-trimethyl-4-pyrazolyl)benzenesulfonamide
  • ZINC00472098
  • SMR000136647
  • ST5427446
  • MLS000531669
  • 4-ethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lamin dm0 0.0033 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.0205 0.0657 0.0657
Trypanosoma brucei C-8 sterol isomerase, putative 0.0748 0.2629 0.2599
Onchocerca volvulus 0.0035 0.0041 0.0204
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1191 0.4238 0.422
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1304 0.4646 1
Schistosoma mansoni lamin 0.0033 0.0032 0.0032
Echinococcus multilocularis muscleblind protein 0.018 0.0569 0.0569
Loa Loa (eye worm) hypothetical protein 0.011 0.0313 0.0284
Echinococcus multilocularis lamin dm0 0.0033 0.0032 0.0032
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0105 0.0065
Onchocerca volvulus Huntingtin homolog 0.0148 0.0451 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0124 0.0094
Loa Loa (eye worm) hypothetical protein 0.018 0.0569 0.054
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0011
Echinococcus granulosus lamin 0.0033 0.0032 0.0032
Brugia malayi CHE-14 protein 0.1191 0.4238 0.4219
Loa Loa (eye worm) beta-lactamase 0.0035 0.0041 0.0011
Onchocerca volvulus 0.0058 0.0126 0.2226
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0105 0.5
Echinococcus multilocularis geminin 0.0205 0.0657 0.0657
Schistosoma mansoni patched 1 0.1191 0.4238 0.4238
Loa Loa (eye worm) hypothetical protein 0.0382 0.1302 0.1275
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.2779 1 1
Echinococcus granulosus Protein patched homolog 1 0.1191 0.4238 0.4238
Leishmania major C-8 sterol isomerase-like protein 0.0748 0.2629 0.2599
Schistosoma mansoni hypothetical protein 0.0058 0.0126 0.0126
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1304 0.4646 1
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2779 1 1
Brugia malayi hypothetical protein 0.0148 0.0451 0.042
Schistosoma mansoni hypothetical protein 0.0046 0.0079 0.0079
Brugia malayi beta-lactamase family protein 0.0035 0.0041 0.0009
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0011
Brugia malayi Muscleblind-like protein 0.018 0.0569 0.0538
Onchocerca volvulus 0.0035 0.0041 0.0204
Echinococcus multilocularis expressed conserved protein 0.0103 0.0289 0.0289
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0105 0.0065
Schistosoma mansoni hypothetical protein 0.0046 0.0079 0.0079
Echinococcus granulosus muscleblind protein 0.018 0.0569 0.0569
Schistosoma mansoni hypothetical protein 0.0046 0.0079 0.0079
Brugia malayi hypothetical protein 0.0034 0.0038 0.0005
Echinococcus granulosus Niemann Pick C1 protein 0.011 0.0313 0.0313
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0041 0.5
Echinococcus multilocularis lamin 0.0033 0.0032 0.0032
Echinococcus granulosus Niemann Pick C1 protein 0.1302 0.4637 0.4637
Echinococcus granulosus sterol regulatory element binding protein 0.1191 0.4238 0.4238
Loa Loa (eye worm) hypothetical protein 0.2779 1 1
Echinococcus multilocularis protein patched 0.1191 0.4238 0.4238
Echinococcus granulosus geminin 0.0205 0.0657 0.0657
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0032 0.0002
Schistosoma mansoni intermediate filament proteins 0.0033 0.0032 0.0032
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.2779 1 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0569 0.0569
Brugia malayi beta-lactamase 0.0035 0.0041 0.0009
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.2779 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.0724 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0105 0.0075
Loa Loa (eye worm) hypothetical protein 0.0148 0.0451 0.0422
Leishmania major hypothetical protein, conserved 0.0053 0.0105 0.0065
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0011
Brugia malayi Niemann-Pick C1 protein precursor 0.011 0.0313 0.0282
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0748 0.2629 0.2605
Brugia malayi hypothetical protein 0.0053 0.0105 0.0073
Schistosoma mansoni hypothetical protein 0.0205 0.0657 0.0657
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0105 1
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0105 0.0065
Echinococcus multilocularis Niemann Pick C1 protein 0.011 0.0313 0.0313
Mycobacterium leprae Probable lipase LipE 0.0035 0.0041 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.3468 0.3468
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.2779 1 1
Echinococcus multilocularis sterol regulatory element binding protein 0.1191 0.4238 0.4238
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.011 0.0313 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0032 0.0002
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.2779 1 1
Echinococcus multilocularis musashi 0.0033 0.0032 0.0032
Onchocerca volvulus 0.0035 0.0041 0.0204
Loa Loa (eye worm) hypothetical protein 0.1191 0.4238 0.422
Schistosoma mansoni lamin 0.0033 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0011
Brugia malayi beta-lactamase family protein 0.0035 0.0041 0.0009
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0105 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0041 0.0011
Loa Loa (eye worm) hypothetical protein 0.0286 0.095 0.0923
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0046 0.0079 0.0079
Onchocerca volvulus Huntingtin homolog 0.0148 0.0451 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1304 0.4646 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0041 0.0041
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0748 0.2629 0.2599
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0041 0.0009
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.095 0.095
Echinococcus granulosus expressed conserved protein 0.0103 0.0289 0.0289
Loa Loa (eye worm) hypothetical protein 0.0033 0.0032 0.0002
Loa Loa (eye worm) hypothetical protein 0.0148 0.0451 0.0422
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0126 0.0093
Loa Loa (eye worm) hypothetical protein 0.018 0.0569 0.054
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1304 0.4646 1
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0105 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0032 0.0032
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.095 0.095
Echinococcus multilocularis protein dispatched 1 0.1198 0.4262 0.4262
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.2779 1 1
Loa Loa (eye worm) hypothetical protein 0.0748 0.2629 0.2607
Schistosoma mansoni survival motor neuron protein 0.0058 0.0126 0.0126
Brugia malayi hypothetical protein 0.0286 0.095 0.0921
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0011
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.2779 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1256 0.4472 0.4472
Loa Loa (eye worm) hypothetical protein 0.0035 0.0041 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.1191 0.4238 0.9114
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0041 0.0041
Echinococcus multilocularis Niemann Pick C1 protein 0.1302 0.4637 0.4637
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0041 0.0041

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6626 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (binding) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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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