Detailed information for compound 1297947

Basic information

Technical information
  • TDR Targets ID: 1297947
  • Name: N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfona mide
  • MW: 265.331 | Formula: C12H15N3O2S
  • H donors: 1 H acceptors: 3 LogP: 1.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn(c(c1NS(=O)(=O)c1ccccc1)C)C
  • InChi: 1S/C12H15N3O2S/c1-9-12(10(2)15(3)13-9)14-18(16,17)11-7-5-4-6-8-11/h4-8,14H,1-3H3
  • InChiKey: IIVBNXICDXKVBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3,5-trimethyl-4-pyrazolyl)benzenesulfonamide
  • MLS000113246
  • SMR000109150
  • IVK/0028563
  • ZINC00312724
  • ChemDiv2_002065

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1038 0.1038
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0054 0.1432 0.0604
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0539 0.5196
Entamoeba histolytica acyl-coA synthetase, putative 0.0054 0.1432 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0912 0.0951
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0062 0.0065
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.086 0.0896
Schistosoma mansoni hypothetical protein 0.0054 0.1459 0.1532
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0062 0.0065
Toxoplasma gondii ABC1 family protein 0.0043 0.1038 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1038 0.1038
Brugia malayi Smad1 0.0017 0.0011 0.0012
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0062 0.0065
Loa Loa (eye worm) glutaminase 2 0.0265 0.9526 0.9931
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1038 0.1038
Loa Loa (eye worm) hypothetical protein 0.004 0.0912 0.0951
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4213 0.4423
Loa Loa (eye worm) hypothetical protein 0.0054 0.1432 0.1493
Echinococcus granulosus GPCR family 2 0.0018 0.0062 0.0065
Mycobacterium ulcerans glutaminase 0.0265 0.9526 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.1432 1
Brugia malayi beta-lactamase family protein 0.0043 0.1038 0.1082
Loa Loa (eye worm) hypothetical protein 0.0043 0.1038 0.1082
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0539 0.5196
Loa Loa (eye worm) hypothetical protein 0.0057 0.1547 0.1613
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1547 0.1613
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0011 0.0012
Mycobacterium ulcerans hypothetical protein 0.0054 0.1432 0.0604
Brugia malayi MH1 domain containing protein 0.0017 0.0011 0.0012
Brugia malayi RNA binding protein 0.0126 0.4213 0.4393
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0828 0.0828
Loa Loa (eye worm) hypothetical protein 0.0054 0.1432 0.1493
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1038 0.109
Loa Loa (eye worm) hypothetical protein 0.0018 0.0062 0.0065
Mycobacterium tuberculosis Conserved protein 0.0043 0.1038 0.1038
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4213 0.4423
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.004 0.0912 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0054 0.1432 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1038 0.1082
Brugia malayi MH2 domain containing protein 0.0017 0.0011 0.0012
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0054 0.1432 0.0604
Mycobacterium ulcerans beta-lactamase 0.0043 0.1038 0.0146
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0054 0.1432 0.0604
Echinococcus granulosus smad 0.0017 0.0011 0.0012
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.1432 1
Brugia malayi MH1 domain containing protein 0.0017 0.0011 0.0012
Loa Loa (eye worm) transcription factor SMAD2 0.0244 0.8711 0.9082
Schistosoma mansoni hypothetical protein 0.0018 0.0062 0.0065
Schistosoma mansoni hypothetical protein 0.0041 0.0943 0.0989
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4213 0.4423
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0539 0.5196
Loa Loa (eye worm) beta-lactamase 0.0043 0.1038 0.1082
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.1432 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1038 0.1082
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.1432 1
Loa Loa (eye worm) Smad1 0.0017 0.0011 0.0012
Schistosoma mansoni smad1 5 8 and 0.0017 0.0011 0.0012
Trichomonas vaginalis glutaminase, putative 0.0265 0.9526 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.1038 0.0146
Loa Loa (eye worm) hypothetical protein 0.0043 0.1038 0.1082
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0011 0.0012
Brugia malayi hypothetical protein 0.0267 0.9592 1
Brugia malayi TAR-binding protein 0.0126 0.4213 0.4393
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0062 0.0065
Schistosoma mansoni smad 0.0017 0.0011 0.0012
Schistosoma mansoni hypothetical protein 0.0039 0.086 0.0903
Brugia malayi AMP-binding enzyme family protein 0.0054 0.1432 0.1493
Loa Loa (eye worm) hypothetical protein 0.0043 0.1038 0.1082
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.1432 0.0604
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0943 0.0989
Echinococcus granulosus tar DNA binding protein 0.0126 0.4213 0.4393
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0943 0.0983
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.004 0.0912 0.0912
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0539 0.5196
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1547 0.1613
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1038 0.1038
Mycobacterium tuberculosis Conserved protein 0.0043 0.1038 0.1038
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0011 0.0012
Brugia malayi beta-lactamase 0.0043 0.1038 0.1082
Echinococcus multilocularis GPCR, family 2 0.0018 0.0062 0.0065
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0054 0.1432 0.1432
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1038 0.109
Brugia malayi AMP-binding enzyme family protein 0.0054 0.1432 0.1493
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0539 0.5196
Loa Loa (eye worm) hypothetical protein 0.004 0.0912 0.0951
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4213 0.4423
Brugia malayi hypothetical protein 0.002 0.0127 0.0132
Onchocerca volvulus 0.0054 0.1432 0.9366
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0011 0.0012
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0062 0.0065
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0011 0.0012
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1038 0.1082
Leishmania major hypothetical protein, conserved 0.0043 0.1038 0.7248
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1038 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.1432 0.0604
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.4213 0.4393
Brugia malayi glutaminase DH11.1 0.0265 0.9526 0.9931
Brugia malayi hypothetical protein 0.003 0.0539 0.0562
Echinococcus granulosus survival motor neuron protein 1 0.0267 0.9592 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0054 0.1432 0.0604
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1038 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0539 0.5913
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0062 0.0065
Echinococcus multilocularis survival motor neuron protein 1 0.0267 0.9592 1
Brugia malayi hypothetical protein 0.0041 0.0943 0.0983
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0539 0.5913
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0943 0.0983
Schistosoma mansoni smad1 5 8 and 0.0017 0.0011 0.0012
Schistosoma mansoni hypothetical protein 0.0018 0.0062 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0126 0.4213 0.4423
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0062 0.0065
Plasmodium falciparum acyl-CoA synthetase 0.004 0.0912 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1038 0.1038
Schistosoma mansoni smad1 5 8 and 0.0017 0.0011 0.0012
Echinococcus multilocularis tar DNA binding protein 0.0126 0.4213 0.4393
Loa Loa (eye worm) hypothetical protein 0.0267 0.9592 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1038 0.1082
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1038 0.1082
Loa Loa (eye worm) hypothetical protein 0.004 0.0912 0.0951
Loa Loa (eye worm) TAR-binding protein 0.0126 0.4213 0.4393
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1547 0.1613
Echinococcus granulosus Smad4 0.0017 0.0011 0.0012
Onchocerca volvulus 0.0054 0.1459 1
Plasmodium vivax acyl-CoA synthetase, putative 0.004 0.0912 0.8787
Loa Loa (eye worm) MH2 domain-containing protein 0.0244 0.8711 0.9082
Brugia malayi MH2 domain containing protein 0.0017 0.0011 0.0012
Mycobacterium ulcerans acyl-CoA synthetase 0.0054 0.1432 0.0604
Loa Loa (eye worm) RNA binding protein 0.0126 0.4213 0.4393
Loa Loa (eye worm) hypothetical protein 0.0043 0.1038 0.1082
Loa Loa (eye worm) glutaminase 0.0265 0.9526 0.9931
Loa Loa (eye worm) hypothetical protein 0.003 0.0539 0.0562
Echinococcus multilocularis Smad4 0.0017 0.0011 0.0012
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1038 0.0146
Leishmania major 4-coumarate:coa ligase-like protein 0.0054 0.1432 1
Brugia malayi beta-lactamase family protein 0.0043 0.1038 0.1082
Loa Loa (eye worm) hypothetical protein 0.0039 0.086 0.0896
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1038 0.0146
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0054 0.1432 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0828 0.0828
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1038 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0912 0.0951
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1038 0.1082
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0011 0.0012
Schistosoma mansoni hypothetical protein 0.0018 0.0062 0.0065
Brugia malayi AMP-binding enzyme family protein 0.0054 0.1432 0.1493
Mycobacterium ulcerans lipase LipD 0.0043 0.1038 0.0146
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.4213 0.4393
Echinococcus multilocularis smad 0.0017 0.0011 0.0012
Schistosoma mansoni survival motor neuron protein 0.0054 0.1459 0.1532
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0011 0.0012
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1038 0.1038
Schistosoma mansoni hypothetical protein 0.0018 0.0062 0.0065
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1038 0.1038
Loa Loa (eye worm) hypothetical protein 0.0054 0.1432 0.1493
Mycobacterium tuberculosis Conserved protein 0.0043 0.1038 0.1038
Schistosoma mansoni Smad4 0.0017 0.0011 0.0012
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0054 0.1432 0.1432
Leishmania major hypothetical protein, conserved 0.003 0.0539 0.3766
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0828 0.0828
Brugia malayi MH2 domain containing protein 0.0244 0.8711 0.9082
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.1459 0.1521
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1038 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0038 0.0828 0.0828
Schistosoma mansoni glutaminase 0.0265 0.9526 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 1.6834 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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