Detailed information for compound 1486456

Basic information

Technical information
  • TDR Targets ID: 1486456
  • Name: N'-(2-chlorobenzoyl)-3-ethyl-5-methyl-1,2-oxa zole-4-carbohydrazide
  • MW: 307.732 | Formula: C14H14ClN3O3
  • H donors: 2 H acceptors: 3 LogP: 2.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1noc(c1C(=O)NNC(=O)c1ccccc1Cl)C
  • InChi: 1S/C14H14ClN3O3/c1-3-11-12(8(2)21-18-11)14(20)17-16-13(19)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H,16,19)(H,17,20)
  • InChiKey: XTPPORYOHPBQLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-(2-chlorobenzoyl)-3-ethyl-5-methyl-isoxazole-4-carbohydrazide
  • N'-[(2-chlorophenyl)-oxomethyl]-3-ethyl-5-methyl-4-isoxazolecarbohydrazide
  • N'-(2-chlorophenyl)carbonyl-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
  • ZINC07913251

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trichomonas vaginalis ap endonuclease, 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 gambiense apurinic/apyrimidinic endonuclease, putative 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
Neospora caninum hypothetical protein 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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Brugia malayi exodeoxyribonuclease III family protein 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Trichomonas vaginalis ap endonuclease, putative 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
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 exodeoxyribonuclease III family protein 0.0023 0.4444 0.4444
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 1 1
Schistosoma mansoni coup transcription factor 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.4444 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.4444 0.5
Schistosoma mansoni thyroid hormone receptor 0.0031 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 1 1
Echinococcus granulosus FTZ F1 alpha 0.0031 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.4444 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 1 1
Schistosoma mansoni thyroid hormone receptor 0.0031 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0031 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.4444 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.4444 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 1 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0031 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.4444 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.4444 0.4444
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.4444 0.5
Brugia malayi nuclear hormone receptor 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 1 1
Brugia malayi steroid hormone receptor 0.0031 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.4444 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.4444 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.4444 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.4444 0.4444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.4444 0.4444
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 1 1
Brugia malayi nuclear receptor NHR-88 0.0031 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0031 1 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.4444 0.5
Onchocerca volvulus 0.0031 1 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0031 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.4444 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.4444 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.4444 0.4444
Schistosoma mansoni nuclear hormone receptor 0.0031 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.4444 0.4444
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0.4444 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0031 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.4444 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0031 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.9466 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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

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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