Detailed information for compound 1536902

Basic information

Technical information
  • TDR Targets ID: 1536902
  • Name: 2,3-DIETHYL-5-METHYLPYRAZINE
  • MW: 150.221 | Formula: C9H14N2
  • H donors: 0 H acceptors: 2 LogP: 1.85 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc(C)cnc1CC
  • InChi: 1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3
  • InChiKey: PSINWXIDJYEXLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3-diethyl-5-methyl-pyrazine
  • 18138-04-0
  • 293814_ALDRICH
  • ZINC00156048
  • W333603_ALDRICH
  • EINECS 242-024-6
  • FEMA No. 3336
  • Pyrazine, 2,3-diethyl-5-methyl-
  • ST5307354
  • MLS000515960
  • SMR000112429
  • 2-Methyl-5,6-diethylpyrazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Onchocerca volvulus 0.0129 0.1428 0.2823
Onchocerca volvulus 0.0361 0.4923 1
Brugia malayi Cytochrome P450 family protein 0.0049 0.0232 0.0054
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0129 0.1428 0.0721
Trypanosoma cruzi WLM domain containing protein, putative 0.0129 0.1428 1
Plasmodium vivax hypothetical protein, conserved 0.0361 0.4923 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.1428 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0232 0.0431
Schistosoma mansoni hypothetical protein 0.0205 0.2571 0.4347
Brugia malayi YY1-associated factor 2 0.0129 0.1428 0.259
Loa Loa (eye worm) hypothetical protein 0.0037 0.0054 0.0066
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0129 0.1428 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0129 0.1428 0.259
Trypanosoma brucei hypothetical protein, conserved 0.0129 0.1428 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1036 0.207
Chlamydia trachomatis SWIB complex protein 0.0361 0.4923 0.5
Echinococcus multilocularis zinc finger protein Ran binding 0.0129 0.1428 0.0721
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0049 0.0232 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0361 0.4923 0.4504
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0129 0.1428 0.259
Loa Loa (eye worm) brahma associated protein 0.0361 0.4923 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0361 0.4923 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0361 0.4923 0.4504
Trypanosoma cruzi WLM domain containing protein, putative 0.0129 0.1428 1
Brugia malayi Cytochrome P450 family protein 0.0049 0.0232 0.0054
Echinococcus multilocularis SWI:SNF matrix associated 0.0361 0.4923 0.4504
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0232 0.0431
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0129 0.1428 0.259
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0361 0.4923 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0361 0.4923 1
Schistosoma mansoni zinc finger protein 0.0129 0.1428 0.1601
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0129 0.1428 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0129 0.1428 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.1428 0.287
Schistosoma mansoni hypothetical protein 0.0205 0.2571 0.4347
Chlamydia trachomatis DNA topoisomerase I 0.0361 0.4923 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0361 0.4923 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0361 0.4923 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0129 0.1428 0.259
Trichomonas vaginalis conserved hypothetical protein 0.0361 0.4923 1
Echinococcus multilocularis geminin 0.0205 0.2571 0.1958
Onchocerca volvulus 0.0102 0.1036 0.2017
Leishmania major hypothetical protein, conserved 0.0129 0.1428 1
Schistosoma mansoni brg-1 associated factor 0.0361 0.4923 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0361 0.4923 1
Schistosoma mansoni TRABID protein (C64 family) 0.0129 0.1428 0.1601
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0129 0.1428 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0129 0.1428 1
Onchocerca volvulus 0.0129 0.1428 0.2823
Schistosoma mansoni hypothetical protein 0.0361 0.4923 1
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.1036 0.0658
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0129 0.1428 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0361 0.4923 0.4504
Schistosoma mansoni hypothetical protein 0.0361 0.4923 1
Echinococcus multilocularis ring and YY1 binding protein 0.0129 0.1428 0.0721
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0762 0.1511
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0129 0.1428 1
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.1428 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0361 0.4923 0.4504
Loa Loa (eye worm) hypothetical protein 0.0129 0.1428 0.287
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0361 0.4923 1
Brugia malayi brahma associated protein 60 kDa 0.0361 0.4923 1
Echinococcus granulosus Zinc finger RanBP2 type 0.0129 0.1428 0.0721
Leishmania major hypothetical protein, conserved 0.0129 0.1428 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0207 0.0378
Schistosoma mansoni hypothetical protein 0.0361 0.4923 1
Leishmania major hypothetical protein, conserved 0.0129 0.1428 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0207 0.0314
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0129 0.1428 0.2823
Echinococcus multilocularis tumor protein p63 0.07 1 1
Echinococcus granulosus SWI:SNF matrix associated 0.0361 0.4923 0.4504
Trichomonas vaginalis chromobox protein, putative 0.0051 0.026 0.0529
Loa Loa (eye worm) CYP4Cod1 0.0049 0.0232 0.0431
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.026 0.0425
Schistosoma mansoni hypothetical protein 0.0129 0.1428 0.1601
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0762 0.1547
Loa Loa (eye worm) hypothetical protein 0.0129 0.1428 0.287
Echinococcus granulosus zinc finger protein Ran binding 0.0129 0.1428 0.0721
Onchocerca volvulus 0.0129 0.1428 0.2823
Leishmania major hypothetical protein, conserved 0.0129 0.1428 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.1428 0.287
Schistosoma mansoni RNA binding protein 0.0129 0.1428 0.1601
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.1428 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0762 0.1547
Brugia malayi brahma associated protein 60 kDa 0.0361 0.4923 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0762 0.1177
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0207 0.042
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0207 0.042
Echinococcus granulosus geminin 0.0205 0.2571 0.1958
Trichomonas vaginalis chromobox protein, putative 0.0051 0.026 0.0529
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0129 0.1428 0.0721
Trypanosoma brucei hypothetical protein, conserved 0.0129 0.1428 1
Leishmania major hypothetical protein, conserved 0.0129 0.1428 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.1428 0.287
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0129 0.1428 0.0721
Schistosoma mansoni fusion 0.0129 0.1428 0.1601
Onchocerca volvulus 0.0129 0.1428 0.2823
Echinococcus granulosus ring and YY1 binding protein 0.0129 0.1428 0.0721

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0058 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 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
Potency (functional) 18.526 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

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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