Detailed information for compound 630681

Basic information

Technical information
  • TDR Targets ID: 630681
  • Name: N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
  • MW: 227.262 | Formula: C13H13N3O
  • H donors: 1 H acceptors: 3 LogP: 1.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)NC(=O)c1cnccn1
  • InChi: 1S/C13H13N3O/c1-9-3-4-11(10(2)7-9)16-13(17)12-8-14-5-6-15-12/h3-8H,1-2H3,(H,16,17)
  • InChiKey: FCKOWXAUFCIYHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dimethylphenyl)-2-pyrazinecarboxamide
  • N-(2,4-dimethylphenyl)pyrazinamide
  • AK-968/11368927
  • MLS001208148
  • SMR000518777
  • BAS 03606550
  • Pyrazine-2-carboxylic acid (2,4-dimethyl-phenyl)-amide
  • ZINC00190505
  • ST5017971

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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) AGC/RSK/MSK protein kinase 0.0024 0.0067 0.0193
Echinococcus multilocularis Smad4 0.0024 0.0069 0.0069
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0839 1
Schistosoma mansoni hypothetical protein 0.004 0.0243 0.2834
Entamoeba histolytica hypothetical protein 0.0035 0.0186 0.1542
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Loa Loa (eye worm) hypothetical protein 0.0305 0.2988 0.8646
Schistosoma mansoni hypothetical protein 0.004 0.0243 0.2834
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0186 0.0186
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0076 0.5
Echinococcus multilocularis serine threonine protein kinase 0.0024 0.0067 0.0067
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0074 0.0213
Brugia malayi MH2 domain containing protein 0.0024 0.0069 0.02
Echinococcus granulosus serine:threonine protein kinase N2 0.0024 0.0067 0.0522
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0067 0.0779
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0258 0.0258
Loa Loa (eye worm) hypothetical protein 0.0051 0.0356 0.103
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0074 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.004 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0028
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0069 0.0541
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0839 0.6576
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0024 0.0067 0.0522
Loa Loa (eye worm) hypothetical protein 0.0321 0.3162 0.9148
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0069 0.0069
Schistosoma mansoni smad1 5 8 and 0.0024 0.0069 0.0808
Echinococcus multilocularis serine:threonine protein kinase N2 0.0024 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0213
Loa Loa (eye worm) AGC/AKT protein kinase 0.0024 0.0067 0.0193
Echinococcus multilocularis smad 0.0024 0.0069 0.0069
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0839 0.2426
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0213
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Echinococcus multilocularis serine:threonine protein kinase N2 0.0024 0.0067 0.0067
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0024 0.0067 0.0193
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0258 1
Entamoeba histolytica hypothetical protein 0.0035 0.0186 0.1542
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0076 1
Brugia malayi Protein kinase domain containing protein 0.0024 0.0067 0.0193
Schistosoma mansoni serine/threonine protein kinase 0.004 0.024 0.2809
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0074 1
Echinococcus multilocularis protein kinase c epsilon type 0.004 0.024 0.024
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0067 0.0779
Schistosoma mansoni serine/threonine protein kinase 0.004 0.024 0.2809
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0076 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.001 0.139
Schistosoma mansoni hypothetical protein 0.004 0.0243 0.2834
Loa Loa (eye worm) MH2 domain-containing protein 0.035 0.3456 1
Echinococcus granulosus smad 0.0024 0.0069 0.0541
Echinococcus multilocularis protein patched 0.0042 0.0258 0.0258
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Echinococcus multilocularis protein kinase c iota type 0.004 0.024 0.024
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0074 1
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0024 0.0067 0.0522
Echinococcus multilocularis expressed conserved protein 0.0092 0.0777 0.0777
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.1275 0.1275
Loa Loa (eye worm) transcription factor SMAD2 0.035 0.3456 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0069 0.0541
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0186 0.2172
Echinococcus granulosus Smad4 0.0024 0.0069 0.0541
Brugia malayi Protein kinase domain containing protein 0.0024 0.0067 0.0193
Echinococcus granulosus Protein kinase C brain isozyme 0.004 0.024 0.1882
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0074 0.0213
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0067 0.0779
Entamoeba histolytica hypothetical protein 0.0035 0.0186 0.1542
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0024 0.0067 0.0193
Echinococcus granulosus expressed conserved protein 0.0092 0.0777 0.6093
Brugia malayi CHE-14 protein 0.0042 0.0258 0.0746
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0074 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0024 0.0067 0.0193
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0074 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0028
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0213
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Echinococcus granulosus NDR protein kinase 0.0024 0.0067 0.0522
Schistosoma mansoni atypical protein kinase C 0.004 0.024 0.2809
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0028
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0028
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0074 1
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0069 0.02
Loa Loa (eye worm) hypothetical protein 0.0018 0.001 0.0028
Brugia malayi Hr1 repeat family protein 0.0024 0.0067 0.0193
Brugia malayi p70 ribosomal S6 kinase beta 0.0024 0.0067 0.0193
Echinococcus multilocularis serine:threonine protein kinase 38 0.0024 0.0067 0.0067
Brugia malayi Protein kinase domain containing protein 0.0024 0.0067 0.0193
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0074 0.0091
Schistosoma mansoni smad 0.0024 0.0069 0.0808
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0258 0.0746
Brugia malayi MH2 domain containing protein 0.0024 0.0069 0.02
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0067 0.0779
Brugia malayi MH2 domain containing protein 0.035 0.3456 1
Loa Loa (eye worm) Smad1 0.0024 0.0069 0.02
Loa Loa (eye worm) hypothetical protein 0.0328 0.3234 0.9355
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0074 0.5
Echinococcus granulosus protein kinase c epsilon type 0.004 0.024 0.1882
Brugia malayi hypothetical protein 0.0024 0.0076 0.0217
Onchocerca volvulus 0.0305 0.2988 1
Entamoeba histolytica hypothetical protein 0.0035 0.0186 0.1542
Schistosoma mansoni serine/threonine kinase 0.0024 0.0067 0.0779
Loa Loa (eye worm) AGC/PKN protein kinase 0.0024 0.0067 0.0193
Brugia malayi hypothetical protein 0.0035 0.0186 0.0537
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0076 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.004 0.024 0.0694
Echinococcus multilocularis protein dispatched 1 0.0048 0.032 0.0319
Mycobacterium ulcerans hypothetical protein 0.0024 0.0074 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0069 0.0808
Loa Loa (eye worm) hypothetical protein 0.0098 0.0839 0.2426
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0074 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0074 1
Echinococcus granulosus protein kinase c iota type 0.004 0.024 0.1882
Schistosoma mansoni smad1 5 8 and 0.0024 0.0069 0.0808
Schistosoma mansoni serine/threonine protein kinase 0.004 0.024 0.2809
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0076 0.5
Schistosoma mansoni patched 1 0.0042 0.0258 0.3018
Loa Loa (eye worm) hypothetical protein 0.0042 0.0258 0.0746
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0074 1
Schistosoma mansoni hypothetical protein 0.0035 0.0186 0.2172
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Brugia malayi MH1 domain containing protein 0.0024 0.0069 0.02
Loa Loa (eye worm) hypothetical protein 0.0024 0.0076 0.0217
Echinococcus granulosus protein kinase C gamma type 0.0024 0.0067 0.0522
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Brugia malayi Smad1 0.0024 0.0069 0.02
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0074 0.0213
Loa Loa (eye worm) hypothetical protein 0.0305 0.2988 0.8646
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0258 0.2022
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0024 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.004 0.0243 0.2834
Brugia malayi MH1 domain containing protein 0.0024 0.0069 0.02
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0855 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0024 0.0067 0.0067
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0069 0.0069
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.001 0.5
Brugia malayi protein kinase C II. 0.004 0.024 0.0694
Leishmania major hypothetical protein, conserved 0.0024 0.0076 1
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.1275 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0076 1
Loa Loa (eye worm) hypothetical protein 0.0305 0.2988 0.8646
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0074 0.0091
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0024 0.0067 0.0067
Schistosoma mansoni smad1 5 8 and 0.0024 0.0069 0.0808
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0024 0.0067 0.0193
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0076 1
Schistosoma mansoni Smad4 0.0024 0.0069 0.0808
Trichomonas vaginalis AGC family protein kinase 0.0024 0.0067 0.0269
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0069 0.02
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0024 0.0067 0.0522
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0839 0.0838
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0258 0.2022
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0074 0.0091
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0186 0.1456

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 16.3535 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) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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