Detailed information for compound 1299181

Basic information

Technical information
  • TDR Targets ID: 1299181
  • Name: dimethyl pyridine-2,5-dicarboxylate
  • MW: 195.172 | Formula: C9H9NO4
  • H donors: 0 H acceptors: 3 LogP: 0.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cn1)C(=O)OC
  • InChi: 1S/C9H9NO4/c1-13-8(11)6-3-4-7(10-5-6)9(12)14-2/h3-5H,1-2H3
  • InChiKey: TUGSJNQAIMFEDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • pyridine-2,5-dicarboxylic acid dimethyl ester
  • 881-86-7
  • Dimethyl 2,5-pyridine dicarboxylate
  • Methyl 6-methoxycarbonyl nicotinate
  • ST5407013
  • ZINC00076763
  • MLS000084758
  • SMR000019104
  • 2,5-Pyridinedicarboxylic acid, dimethyl ester
  • Dimethyl 2,5-pyridinedicarboxylate
  • Dimethyl isocinchomeronate
  • NSC35758
  • AJ-333/25006330
  • EU-0067400
  • Maybridge1_006391
  • 540234_ALDRICH

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
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0053 0.0292
Loa Loa (eye worm) hypothetical protein 0.0038 0.0431 0.2396
Schistosoma mansoni hypothetical protein 0.0036 0.04 0.04
Loa Loa (eye worm) hypothetical protein 0.0018 0.012 0.0665
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.012 0.012
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0272 0.096
Brugia malayi hypothetical protein 0.001 0.0002 0.0008
Echinococcus multilocularis nibrin 0.001 0.0002 0.0002
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0195 0.2823 1
Echinococcus granulosus nibrin 0.001 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0018 0.012 0.012
Schistosoma mansoni hypothetical protein 0.0018 0.012 0.012
Echinococcus granulosus geminin 0.0345 0.5109 0.5109
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0171 0.4262
Brugia malayi Latrophilin receptor protein 2 0.0018 0.012 0.0665
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0171 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0171 0.0602
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0171 0.0602
Loa Loa (eye worm) hypothetical protein 0.001 0.0002 0.0008
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0195 0.2823 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0002 0.0008
Leishmania major cytochrome p450-like protein 0.0028 0.0272 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0013 0.0053 0.0181
Schistosoma mansoni dihydropteridine reductase 0.0013 0.0053 0.0053
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0171 0.5403
Onchocerca volvulus 0.0013 0.0053 0.4809
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0171 0.0602
Schistosoma mansoni hypothetical protein 0.0038 0.0431 0.0431
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0002 0.0008
Mycobacterium tuberculosis Probable oxidoreductase 0.0017 0.0109 0.0205
Loa Loa (eye worm) hypothetical protein 0.002 0.0151 0.084
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Entamoeba histolytica hypothetical protein 0.0036 0.04 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0013 0.0053 0.0181
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0017 0.0109 0.0382
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0013 0.0053 0.0181
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0017 0.0109 0.0382
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0171 0.0602
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0053 0.0292
Brugia malayi Cytochrome P450 family protein 0.0028 0.0272 0.1513
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0195 0.2823 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0053 0.0181
Brugia malayi hypothetical protein 0.001 0.0002 0.0008
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0171 0.0602
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0053 0.0181
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0017 0.0109 0.0382
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0002 0.0008
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0013 0.0053 0.1887
Schistosoma mansoni hypothetical protein 0.0345 0.5109 0.5109
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0053 0.0181
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0272 0.1513
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0272 0.1513
Chlamydia trachomatis oxoacy-ACP reductase 0.0013 0.0053 0.0181
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0013 0.0053 0.0181
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0272 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0053 0.0181
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0053 0.0181
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0013 0.0053 0.0292
Loa Loa (eye worm) hypothetical protein 0.001 0.0002 0.0008
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.04 0.04
Brugia malayi MH2 domain containing protein 0.0128 0.18 1
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.012 0.012
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0171 1
Onchocerca volvulus 0.0017 0.0109 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0013 0.0053 0.0292
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.07 0.3887
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0013 0.0053 0.0181
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0013 0.0053 0.0053
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0171 0.6271
Entamoeba histolytica hypothetical protein 0.0036 0.04 1
Leishmania major oxidoreductase-like protein 0.0017 0.0109 0.2585
Trichomonas vaginalis hypothetical protein 0.0195 0.2823 1
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0013 0.0053 0.0181
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0272 0.1513
Schistosoma mansoni ap endonuclease 0.0021 0.0171 0.0171
Entamoeba histolytica hypothetical protein 0.0036 0.04 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.012 0.0665
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0013 0.0053 0.1283
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.04 0.04
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.012 0.012
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Schistosoma mansoni hypothetical protein 0.0018 0.012 0.012
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0013 0.0053 0.1887
Loa Loa (eye worm) hypothetical protein 0.001 0.0002 0.0008
Schistosoma mansoni DNA ligase IV 0.001 0.0002 0.0002
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.18 1
Toxoplasma gondii exonuclease III APE 0.0021 0.0171 0.0602
Schistosoma mansoni hypothetical protein 0.0018 0.012 0.012
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.18 1
Echinococcus granulosus GPCR family 2 0.0018 0.012 0.012
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0195 0.2823 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0002 0.0008
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0013 0.0053 0.0053
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0171 0.0171
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.012 0.0665
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.012 0.012
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0053 0.0181
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.04 0.04
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0053 0.0181
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0171 0.0952
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0013 0.0053 0.0053
Leishmania major pteridine reductase 1 0.0017 0.0109 0.2585
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0171 0.0171
Plasmodium falciparum enoyl-acyl carrier reductase 0.0195 0.2823 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0053 0.0181
Echinococcus multilocularis geminin 0.0345 0.5109 0.5109
Schistosoma mansoni topbp1 0.001 0.0002 0.0002
Brugia malayi hypothetical protein 0.0036 0.04 0.2223
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0053 0.0181
Echinococcus multilocularis GPCR, family 2 0.0018 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0013 0.0053 0.0292
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0171 0.6271
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0272 1
Brugia malayi topoisomerase 0.001 0.0002 0.0008
Schistosoma mansoni ap endonuclease 0.0021 0.0171 0.0171
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0053 0.0181
Schistosoma mansoni hypothetical protein 0.0345 0.5109 0.5109
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0013 0.0053 0.0181
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0013 0.0053 0.1887
Echinococcus multilocularis microtubule associated protein 2 0.0667 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Trypanosoma brucei pteridine reductase 1 0.0013 0.0053 0.1887
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.07 0.3887
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0013 0.0053 0.0181
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0002 0.0002
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0171 0.0429
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0013 0.0053 0.0181
Mycobacterium ulcerans short chain dehydrogenase 0.0017 0.0109 0.0382
Echinococcus granulosus replication factor c subunit 1 0.001 0.0002 0.0002
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0171 0.0952
Brugia malayi Cytochrome P450 family protein 0.0028 0.0272 0.1513
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0017 0.0109 0.0382
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0195 0.2823 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0195 0.2823 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0431 0.2396
Entamoeba histolytica hypothetical protein 0.0036 0.04 1
Onchocerca volvulus 0.001 0.0002 0.0137
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0272 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0195 0.2823 1
Mycobacterium ulcerans oxidoreductase 0.0013 0.0053 0.0181
Schistosoma mansoni topbp1 0.001 0.0002 0.0002
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0171 0.0602
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0053 0.0181
Brugia malayi DKFZp564C0469 protein 0.001 0.0002 0.0008
Loa Loa (eye worm) oxidoreductase 0.0013 0.0053 0.0292
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.07 0.3887
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0002 0.0002
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0053 0.0181
Loa Loa (eye worm) hypothetical protein 0.001 0.0002 0.0008
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0017 0.0109 0.3984
Loa Loa (eye worm) hypothetical protein 0.0056 0.07 0.3887
Trypanosoma brucei oxidoreductase-like protein 0.0017 0.0109 0.3984
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0013 0.0053 0.0181
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0171 0.6271
Schistosoma mansoni microtubule-associated protein tau 0.0667 1 1

Activities

Activity type Activity value Assay description Source 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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