Detailed information for compound 1326717

Basic information

Technical information
  • TDR Targets ID: 1326717
  • Name: ZINC00081954
  • MW: 191.187 | Formula: C9H9N3O2
  • H donors: 0 H acceptors: 3 LogP: 0.06 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1ccc(n1)N1C(=O)C=C(C1=O)C
  • InChi: 1S/C9H9N3O2/c1-6-5-8(13)12(9(6)14)7-3-4-11(2)10-7/h3-5H,1-2H3
  • InChiKey: UPWIXROBQHXMSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Maybridge4_000732
  • 3-methyl-1-(1-methyl-1H-pyrazol-3-yl)-1H-pyrrole-2,5-dione
  • MLS000851480
  • SMR000457923
  • IDI1_031314

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Echinococcus granulosus 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
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ap endonuclease, putative 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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein 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 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 Steroid receptor seven-up type 2 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Brugia malayi ecdysteroid receptor 0.0012 0.0822 0.0822
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0822 0.0822
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.2322 0.2322
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0822 0.0822
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0822 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0822 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.2322 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0822 0.0822
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0822 0.0822
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0822 0.0822
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0822 0.0822
Brugia malayi steroid hormone receptor 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0822 0.0822
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0822 0.0822
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0822 0.0822
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.2322 0.2322
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0822 0.0822
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0822 0.0822
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0822 0.0822
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0822 0.0822
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0822 0.0822
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.2322 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0822 0.0822
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0822 0.0822
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2322 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0822 0.0822
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.2322 0.2322
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0822 0.0822
Toxoplasma gondii exonuclease III APE 0.0023 0.2322 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0822 0.0822
Schistosoma mansoni ap endonuclease 0.0023 0.2322 0.2322
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0822 0.0822
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0822 0.0822
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0822 0.0822
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0822 0.0822
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0822 0.0822
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0822 0.0822
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0822 0.0822
Brugia malayi nuclear hormone receptor 0.0012 0.0822 0.0822
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0822 0.0822
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.2322 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.2322 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0822 0.0822
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.2322 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0822 0.0822
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2322 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2322 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0822 0.0822
Schistosoma mansoni coup transcription factor 0.0012 0.0822 0.0822
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0822 0.0822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0822 0.0822
Schistosoma mansoni ap endonuclease 0.0023 0.2322 0.2322
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.2322 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0822 0.0822
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.2322 0.5
Onchocerca volvulus 0.0012 0.0822 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2322 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0822 0.0822
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0822 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0822 0.0822
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0822 0.0822
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0822 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.2322 0.5
Brugia malayi nuclear receptor NHR-88 0.0012 0.0822 0.0822
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.2322 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0822 0.0822
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.2322 0.5
Brugia malayi TAR-binding protein 0.0076 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0822 0.0822
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.2322 0.2322

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0329 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) 1.0418 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) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 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) 89.1251 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) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: 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.

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