Detailed information for compound 1318277

Basic information

Technical information
  • TDR Targets ID: 1318277
  • Name: 2-pyridin-4-ylisoindole-1,3-dione
  • MW: 224.215 | Formula: C13H8N2O2
  • H donors: 0 H acceptors: 3 LogP: 1.39 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(c2ccncc2)C(=O)c2c1cccc2
  • InChi: 1S/C13H8N2O2/c16-12-10-3-1-2-4-11(10)13(17)15(12)9-5-7-14-8-6-9/h1-8H
  • InChiKey: MQVJOORLCCEGBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-pyridyl)isoindoline-1,3-dione
  • 2-(4-pyridyl)isoindoline-1,3-quinone
  • Oprea1_138915
  • ZINC03160287

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
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0089 0.2307 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0196 1
Brugia malayi mbt repeat family protein 0.0046 0.0847 0.1003
Brugia malayi Probable ClpP-like protease 0.0089 0.2307 0.2734
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.5632 0.5632
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.1261 0.1261
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.1261 1
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0196 0.0848
Schistosoma mansoni hypothetical protein 0.0193 0.5852 0.5852
Brugia malayi glutaminase DH11.1 0.0269 0.844 1
Echinococcus granulosus polycomb protein SCMH1 0.0056 0.1177 0.1177
Brugia malayi hypothetical protein 0.0027 0.0196 0.0232
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0196 0.0232
Echinococcus granulosus geminin 0.0193 0.5852 0.5852
Loa Loa (eye worm) hypothetical protein 0.0089 0.2307 0.2734
Loa Loa (eye worm) hypothetical protein 0.0046 0.0847 0.1003
Brugia malayi mbt repeat family protein 0.0046 0.0847 0.1003
Echinococcus multilocularis geminin 0.0193 0.5852 0.5852
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0089 0.2307 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0089 0.2307 0.2307
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0089 0.2307 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0847 0.0847
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.2307 0.2734
Leishmania major hypothetical protein, conserved 0.0027 0.0196 1
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.1177 0.1177
Schistosoma mansoni hypothetical protein 0.0315 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0056 0.1177 0.1177
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0196 0.0848
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0316 0.137
Onchocerca volvulus 0.0056 0.1177 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0089 0.2307 0.2307
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0089 0.2307 1
Schistosoma mansoni hypothetical protein 0.0193 0.5852 0.5852
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0089 0.2307 0.2734
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0031 0.0316 0.137
Loa Loa (eye worm) glutaminase 2 0.0269 0.844 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0089 0.2307 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.2307 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0031 0.0316 0.137
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0847 0.0847
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0196 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0058 0.1261 0.4744
Mycobacterium ulcerans glutaminase 0.0269 0.844 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0196 0.0848
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0315 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0196 1
Schistosoma mansoni glutaminase 0.0269 0.844 0.844
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.2307 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0089 0.2307 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.5632 0.5632
Schistosoma mansoni hypothetical protein 0.0233 0.721 0.721
Toxoplasma gondii hypothetical protein 0.0031 0.0316 0.137
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0056 0.1177 0.1177
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0847 0.1003
Trichomonas vaginalis glutaminase, putative 0.0269 0.844 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.1261 0.1261
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0847 0.0847
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0089 0.2307 0.2307
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.1261 1
Loa Loa (eye worm) glutaminase 0.0269 0.844 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0089 0.2307 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0196 0.0848

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 46.0617 uM PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK): for Probe SAR. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1379, AID1721, AID2266] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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