Detailed information for compound 1306113

Basic information

Technical information
  • TDR Targets ID: 1306113
  • Name: 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl )quinoxaline-6-carboxamide
  • MW: 327.404 | Formula: C16H17N5OS
  • H donors: 1 H acceptors: 5 LogP: 2.89 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc2cc(ccc2nc1CC)C(=O)Nc1nnc(s1)C
  • InChi: 1S/C16H17N5OS/c1-4-11-12(5-2)18-14-8-10(6-7-13(14)17-11)15(22)19-16-21-20-9(3)23-16/h6-8H,4-5H2,1-3H3,(H,19,21,22)
  • InChiKey: VDDKACGNDBYSNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinoxalinecarboxamide
  • MLS000770981
  • SMR000375897
  • T5454876
  • ZINC03330253

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Schistosoma mansoni importin beta-1 0.0029 0.0163 0.0163
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0144 0.3389
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0033 0.0211 0.0211
Brugia malayi RNA binding protein 0.0194 0.2533 0.3724
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0327 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0083 0.115
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.1233 0.1812
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0178 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0211 0.0311
Echinococcus multilocularis GPCR, family 2 0.0033 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.003 0.0178 0.0261
Schistosoma mansoni hypothetical protein 0.0071 0.076 0.076
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.022 0.022
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0327 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.0327 0.0327
Leishmania major DNA polymerase eta, putative 0.0041 0.0327 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.022 0.0323
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0327 1
Brugia malayi TAR-binding protein 0.0194 0.2533 0.3724
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.022 0.022
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Schistosoma mansoni DNA polymerase eta 0.0041 0.0327 0.0327
Trypanosoma brucei unspecified product 0.0028 0.0144 0.3389
Echinococcus multilocularis snurportin 1 0.0314 0.4265 0.4265
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0083 0.115
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1084 0.1084
Loa Loa (eye worm) nuclear factor I 0.0018 0.0005 0.0007
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0178 0.4595
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0211 0.0211
Entamoeba histolytica deoxycytidyl transferase, putative 0.0041 0.0327 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0327 0.5
Brugia malayi MH1 domain containing protein 0.0018 0.0005 0.0007
Echinococcus granulosus dna polymerase eta 0.0041 0.0327 0.0327
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0051 0.0051
Entamoeba histolytica hypothetical protein 0.0024 0.0083 0.115
Brugia malayi N-terminal motif family protein 0.0368 0.5048 0.7422
Schistosoma mansoni ran 0.0022 0.0051 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0041 0.0327 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.049 0.6802 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0178 1
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2533 0.2533
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1084 0.1084
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0327 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1084 0.1084
Loa Loa (eye worm) hypothetical protein 0.0368 0.5048 0.7422
Brugia malayi RNA, U transporter 1 0.0084 0.0944 0.1389
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0178 0.4595
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.022 0.0323
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.1233 0.1812
Echinococcus granulosus Smad4 0.0033 0.022 0.022
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.1233 0.1812
Schistosoma mansoni smad 0.0033 0.022 0.022
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0041 0.0327 1
Echinococcus granulosus tar DNA binding protein 0.0194 0.2533 0.2533
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0327 0.0481
Trypanosoma brucei unspecified product 0.0041 0.0327 1
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0327 0.0481
Plasmodium vivax importin-beta 2, putative 0.0029 0.0163 0.8824
Echinococcus multilocularis tar DNA binding protein 0.0194 0.2533 0.2533
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0211 0.0211
Trypanosoma brucei unspecified product 0.0028 0.0144 0.3389
Brugia malayi MH1 domain containing protein 0.0018 0.0005 0.0007
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.1084 0.1594
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.022 0.022
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2533 0.2533
Schistosoma mansoni hypothetical protein 0.0033 0.0211 0.0211
Brugia malayi hypothetical protein 0.003 0.0178 0.0261
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.076 0.1117
Schistosoma mansoni hypothetical protein 0.0033 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0033 0.0211 0.0311
Plasmodium falciparum importin beta, putative 0.0029 0.0163 0.8824
Echinococcus multilocularis smad 0.0033 0.022 0.022
Giardia lamblia DINP protein human, muc B family 0.0041 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0005 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1084 0.1084
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0211 0.0211
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0239
Loa Loa (eye worm) transcription factor SMAD2 0.049 0.6802 1
Echinococcus multilocularis dna polymerase eta 0.0041 0.0327 0.0327
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0051 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0163 0.0163
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0327 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.1084 0.1084
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0083 0.115
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0051 0.2858
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.1084 0.1594
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0211 0.0211
Brugia malayi MH2 domain containing protein 0.0033 0.022 0.0323
Brugia malayi MH2 domain containing protein 0.049 0.6802 1
Schistosoma mansoni Smad4 0.0033 0.022 0.022
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.022 0.022
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0327 1
Echinococcus granulosus dna polymerase kappa 0.0041 0.0327 0.0327
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0327 0.0327
Echinococcus granulosus snurportin 1 0.0314 0.4265 0.4265
Schistosoma mansoni ran 0.0022 0.0051 0.0051
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0178 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.0327 0.0327
Trypanosoma brucei DNA polymerase eta, putative 0.0041 0.0327 1
Schistosoma mansoni smad1 5 8 and 0.0033 0.022 0.022
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0211 0.0311
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.1084 0.1084
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0194 0.2533 0.3724
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Schistosoma mansoni hypothetical protein 0.0314 0.4265 0.4265
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0163 0.4054
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0083 0.115
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0051 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2533 0.2533
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0327 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0327 1
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0327 0.5
Schistosoma mansoni smad1 5 8 and 0.0033 0.022 0.022
Brugia malayi MH1 domain containing protein 0.0033 0.022 0.0323
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0327 0.0481
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0144 0.3389
Loa Loa (eye worm) RNA binding protein 0.0194 0.2533 0.3724
Brugia malayi MH2 domain containing protein 0.0033 0.022 0.0323
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0211 0.0311
Schistosoma mansoni hypothetical protein 0.0712 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0327 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.022 0.022
Brugia malayi hypothetical protein 0.002 0.0022 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2533 0.2533
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0163 0.916
Echinococcus granulosus smad 0.0033 0.022 0.022
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0163 0.4054
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.0144 0.3389
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.0327 0.0481
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2533 0.2533
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.1233 0.1812
Leishmania major importin beta-1 subunit, putative 0.0024 0.0083 0.115
Loa Loa (eye worm) hypothetical protein 0.0071 0.076 0.1117
Schistosoma mansoni hypothetical protein 0.0033 0.0211 0.0211
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.4265 0.6271
Leishmania major hypothetical protein, conserved 0.003 0.0178 0.4595
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0327 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0051 0.0075
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0327 0.5
Echinococcus granulosus GPCR family 2 0.0033 0.0211 0.0211
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.1084 0.1084
Loa Loa (eye worm) TAR-binding protein 0.0194 0.2533 0.3724
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0368 0.5048 1
Schistosoma mansoni smad1 5 8 and 0.0033 0.022 0.022
Brugia malayi RNA recognition motif domain containing protein 0.0194 0.2533 0.3724
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0178 0.4595
Echinococcus granulosus importin subunit beta 1 0.0029 0.0163 0.0163
Leishmania major DNA polymerase kappa, putative 0.0041 0.0327 1
Schistosoma mansoni hypothetical protein 0.0712 1 1
Loa Loa (eye worm) Smad1 0.0033 0.022 0.0323
Brugia malayi MH1 domain containing protein 0.0033 0.022 0.0323
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.0327 0.0327
Echinococcus multilocularis geminin 0.0712 1 1
Brugia malayi Smad1 0.0033 0.022 0.0323
Echinococcus multilocularis Smad4 0.0033 0.022 0.022
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0178 1
Brugia malayi Importin beta-1 subunit 0.0029 0.0163 0.0239

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 631, 731, 1032, 1300 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 1032, 631, 731 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 1032, 631, 731 ] ChEMBL. No reference
Potency (functional) 0.8275 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) 1.2589 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 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
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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