Detailed information for compound 1514822

Basic information

Technical information
  • TDR Targets ID: 1514822
  • Name: [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-me thylpyrazine-2-carboxylate
  • MW: 329.307 | Formula: C16H15N3O5
  • H donors: 1 H acceptors: 5 LogP: 1.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)NC(=O)COC(=O)c1cnc(cn1)C
  • InChi: 1S/C16H15N3O5/c1-10-7-18-12(8-17-10)16(22)24-9-14(20)19-15(21)11-5-3-4-6-13(11)23-2/h3-8H,9H2,1-2H3,(H,19,20,21)
  • InChiKey: FMGRBLNIFJTYSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[(2-methoxybenzoyl)amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate
  • 5-methyl-2-pyrazinecarboxylic acid [2-[[(2-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester
  • 5-methylpyrazinic acid [2-keto-2-[(2-methoxybenzoyl)amino]ethyl] ester
  • [2-[(2-methoxyphenyl)carbonylamino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate
  • ZINC03513318
  • T5507127

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.5333 0.5236
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.9851 1
Echinococcus granulosus tar DNA binding protein 0.0066 0.5333 0.5155
Trypanosoma brucei polo-like protein kinase 0.0099 0.9851 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.9851 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.9851 1
Echinococcus granulosus dna polymerase eta 0.0067 0.5438 0.5264
Echinococcus multilocularis tar DNA binding protein 0.0066 0.5333 0.5155
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.9851 1
Leishmania major DNA polymerase kappa, putative 0.004 0.1739 0.0201
Schistosoma mansoni tar DNA-binding protein 0.0066 0.5333 0.5236
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1739 0.0201
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.1259 0.0925
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.9851 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.5333 0.5155
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Echinococcus granulosus jumonji domain containing protein 0.0042 0.2026 0.1721
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.9851 1
Echinococcus multilocularis dna polymerase kappa 0.004 0.1739 0.1424
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.1259 0.0939
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Plasmodium falciparum phd finger protein, putative 0.003 0.0368 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.1259 0.0939
Schistosoma mansoni jumonji domain containing protein 0.0079 0.715 0.7152
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.1739 0.1424
Schistosoma mansoni tar DNA-binding protein 0.0066 0.5333 0.5236
Plasmodium vivax hypothetical protein, conserved 0.003 0.0368 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.1739 0.1424
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.1739 0.1766
Mycobacterium ulcerans DNA polymerase IV 0.004 0.1739 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.1259 0.0925
Schistosoma mansoni tar DNA-binding protein 0.0066 0.5333 0.5236
Mycobacterium ulcerans DNA polymerase IV 0.004 0.1739 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.1739 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.4876 0.4754
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1739 0.0201
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.9851 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.1739 0.1424
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.9851 0.9845
Loa Loa (eye worm) hypothetical protein 0.0067 0.5438 0.5347
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.9851 1
Leishmania major DNA polymerase eta, putative 0.0067 0.5438 0.4669
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.9851 0.9845
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1739 0.0201
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.1739 0.1446
Trypanosoma brucei unspecified product 0.004 0.1739 0.1766
Brugia malayi TAR-binding protein 0.0066 0.5333 0.5155
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.9851 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.9851 1
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.2925 0.1461
Loa Loa (eye worm) RNA binding protein 0.0066 0.5333 0.5236
Echinococcus multilocularis dna polymerase eta 0.0067 0.5438 0.5264
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.9851 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.1739 0.1446
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0039 0.1573 1
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.1739 0.1766
Giardia lamblia Kinase, PLK 0.0099 0.9851 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Schistosoma mansoni tar DNA-binding protein 0.0066 0.5333 0.5236
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.9851 1
Schistosoma mansoni DNA polymerase eta 0.0067 0.5438 0.5347
Loa Loa (eye worm) hypothetical protein 0.0052 0.3393 0.3189
Giardia lamblia DINP protein human, muc B family 0.004 0.1739 0.1446
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.1739 0.1766
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.1739 0.0201
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.2026 0.1721
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.1259 0.0939
Brugia malayi ImpB/MucB/SamB family protein 0.0067 0.5438 0.5264
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Schistosoma mansoni kinase 0.005 0.3106 0.2887
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.1739 0.1766
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.1739 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.5333 0.5236
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.9851 0.9845
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.9851 1
Echinococcus granulosus dna polymerase kappa 0.004 0.1739 0.1424
Loa Loa (eye worm) TAR-binding protein 0.0066 0.5333 0.5236
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.1739 0.0201
Trypanosoma brucei DNA polymerase eta, putative 0.0067 0.5438 0.5521
Brugia malayi jmjC domain containing protein 0.0037 0.1259 0.0925
Brugia malayi RNA binding protein 0.0066 0.5333 0.5155
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.5438 0.4669
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.2925 0.1461
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.1739 0.1446
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.9851 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.