Detailed information for compound 1121293

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 257.197 | Formula: C10H11NO7
  • H donors: 2 H acceptors: 6 LogP: -2.03 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@@H](N1C(=O)[C@@H]2[C@H](C1=O)COC2)CC(=O)O
  • InChi: 1S/C10H11NO7/c12-7(13)1-6(10(16)17)11-8(14)4-2-18-3-5(4)9(11)15/h4-6H,1-3H2,(H,12,13)(H,16,17)/t4-,5+,6-/m0/s1
  • InChiKey: GQUQCUQYFQQGRZ-JKUQZMGJSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.074 0.1508
Echinococcus granulosus flap endonuclease 1 0.0025 0.0519 0.1057
Schistosoma mansoni flap endonuclease-1 0.0023 0.0417 0.0729
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.074 0.1508
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.074 0.068
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.074 0.0786
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.074 0.1396
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.074 0.0786
Brugia malayi RNA binding protein 0.013 0.4906 0.5596
Loa Loa (eye worm) hypothetical protein 0.0031 0.074 0.0848
Brugia malayi ecdysteroid receptor 0.0031 0.074 0.0786
Echinococcus granulosus intermediate filament protein 0.0027 0.0579 0.118
Echinococcus multilocularis musashi 0.0027 0.0579 0.118
Schistosoma mansoni coup transcription factor 0.0031 0.074 0.1396
Brugia malayi nuclear receptor NHR-88 0.0014 0.0064 0.0005
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.074 0.1396
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.074 0.0786
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.074 0.0848
Schistosoma mansoni ap endonuclease 0.002 0.0297 0.0482
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0014 0.0064 0.013
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0519 0.0228
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0136 0.0156
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Echinococcus granulosus lamin 0.0027 0.0579 0.118
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.074 0.1396
Schistosoma mansoni tar DNA-binding protein 0.013 0.4906 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0156
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Brugia malayi hypothetical protein 0.0016 0.0136 0.0089
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.074 0.1508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.074 0.0848
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0519 1
Brugia malayi tailless protein 0.0014 0.0064 0.0005
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0156
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.074 0.1508
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0156
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0014 0.0064 0.013
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Brugia malayi Pre-SET motif family protein 0.0032 0.0788 0.0842
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0297 0.0274
Brugia malayi intermediate filament protein 0.0027 0.0579 0.06
Brugia malayi nuclear receptor RXR 0.0016 0.0136 0.0089
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0579 0.06
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.074 0.1396
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.074 0.1396
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.074 0.0786
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.074 0.0786
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.074 0.1508
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0519 0.4508
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0014 0.0064 0.013
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0059 0.0068
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0156
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0064 0.013
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.074 0.1508
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0297 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.074 0.068
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.074 0.0786
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0519 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0136 0.0278
Onchocerca volvulus 0.0031 0.074 0.068
Brugia malayi ecdysone receptor 0.0014 0.0064 0.0005
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.4906 0.5626
Plasmodium vivax SET domain protein, putative 0.0032 0.0788 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.074 0.0848
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Loa Loa (eye worm) hypothetical protein 0.0032 0.0788 0.0904
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.074 0.0786
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.8721 1
Echinococcus multilocularis tar DNA binding protein 0.013 0.4906 1
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.074 0.1396
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.074 0.0786
Loa Loa (eye worm) hypothetical protein 0.0026 0.0558 0.064
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0579 0.0664
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0136 0.0089
Loa Loa (eye worm) hypothetical protein 0.0031 0.074 0.0848
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.074 0.0786
Echinococcus granulosus lamin dm0 0.0027 0.0579 0.118
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.074 0.1396
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0297 0.0605
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0519 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.074 0.0848
Loa Loa (eye worm) DR-78 0.0014 0.0064 0.0073
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0064 0.013
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0064 0.0005
Loa Loa (eye worm) hypothetical protein 0.0027 0.0579 0.0664
Onchocerca volvulus 0.0027 0.0579 0.0518
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Trichomonas vaginalis set domain proteins, putative 0.0252 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0136 0.0156
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0519 0.1057
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.0064 0.0073
Brugia malayi steroid hormone receptor 0.0031 0.074 0.0786
Schistosoma mansoni thyroid hormone receptor 0.0031 0.074 0.1396
Echinococcus granulosus tar DNA binding protein 0.013 0.4906 1
Schistosoma mansoni nuclear hormone receptor 0.0031 0.074 0.1396
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0064 0.0005
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0788 0.1607
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0297 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0014 0.0064 0.013
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.074 0.1508
Schistosoma mansoni ap endonuclease 0.002 0.0297 0.0482
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0136 0.0089
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.074 0.0786
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.074 0.0786
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0064 0.0005
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Brugia malayi RNA recognition motif domain containing protein 0.013 0.4906 0.5596
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.0064 0.0073
Schistosoma mansoni lamin 0.0027 0.0579 0.1063
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.074 0.068
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.074 0.1508
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0297 0.0605
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.074 0.1507
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0064 0.0005
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.074 0.1396
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0064 0.013
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0788 0.1607
Brugia malayi Pre-SET motif family protein 0.0221 0.8721 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0788 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Brugia malayi Flap endonuclease-1 0.0025 0.0519 0.053
Schistosoma mansoni tar DNA-binding protein 0.013 0.4906 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0788 0.1607
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0519 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.074 0.0848
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.074 0.0848
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0519 1
Loa Loa (eye worm) TAR-binding protein 0.013 0.4906 0.5626
Loa Loa (eye worm) hypothetical protein 0.0031 0.074 0.0848
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.074 0.1508
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.074 0.0786
Loa Loa (eye worm) hypothetical protein 0.0031 0.074 0.0848
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.074 0.0786
Brugia malayi nuclear receptor RXR 0.0014 0.0064 0.0005
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0519 0.0595
Schistosoma mansoni intermediate filament proteins 0.0027 0.0579 0.1063
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0297 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.074 0.0848
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0788 0.1496
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.074 0.1508
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0788 0.1496
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0297 0.0341
Onchocerca volvulus 0.0027 0.0579 0.0518
Brugia malayi nuclear hormone receptor 0.0031 0.074 0.0786
Brugia malayi hypothetical protein 0.0014 0.0064 0.0005
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.074 0.1508
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.074 0.0786
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0136 0.0278
Loa Loa (eye worm) RNA binding protein 0.013 0.4906 0.5626
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.074 0.1508
Schistosoma mansoni tar DNA-binding protein 0.013 0.4906 1
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0064 0.0005
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0064 0.0005
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.074 0.1508
Echinococcus multilocularis lamin dm0 0.0027 0.0579 0.118
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0136 0.0149
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.074 0.1508
Brugia malayi hypothetical protein 0.0014 0.0064 0.0005
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0519 0.4508
Echinococcus multilocularis nuclear receptor nhr 48 0.0014 0.0064 0.013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0788 0.1496
Loa Loa (eye worm) nuclear hormone receptor 0.0014 0.0064 0.0073
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0064 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.074 0.0848
Schistosoma mansoni lamin 0.0027 0.0579 0.1063
Brugia malayi nuclear hormone receptor 0.0014 0.0064 0.0005
Schistosoma mansoni tar DNA-binding protein 0.013 0.4906 1
Echinococcus granulosus FTZ F1 alpha 0.0031 0.074 0.1508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.074 0.0848
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0064 0.013
Brugia malayi nuclear receptor NHR-67 0.0014 0.0064 0.0005
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0297 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.074 0.1508
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.074 0.0786
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Brugia malayi nuclear receptor NHR-88 0.0031 0.074 0.0786
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0136 0.0149
Brugia malayi hypothetical protein 0.0016 0.0136 0.0089
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.074 0.1508
Schistosoma mansoni tar DNA-binding protein 0.013 0.4906 1
Schistosoma mansoni thyroid hormone receptor 0.0031 0.074 0.1396
Loa Loa (eye worm) hypothetical protein 0.0031 0.074 0.0848
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Echinococcus multilocularis lamin 0.0027 0.0579 0.118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0064 0.013
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.074 0.0848
Plasmodium falciparum flap endonuclease 1 0.0025 0.0519 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0788 0.1496
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.074 0.1508
Loa Loa (eye worm) hypothetical protein 0.0031 0.074 0.0848
Brugia malayi conserved hypotetical protein 0.0014 0.0064 0.0005
Echinococcus granulosus thyroid hormone receptor alpha 0.0014 0.0064 0.013
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0579 0.0664
Onchocerca volvulus 0.0032 0.0788 0.0729
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.074 0.0786
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0073
Brugia malayi TAR-binding protein 0.013 0.4906 0.5596
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.074 0.1396

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) < 10 % Cytotoxicity against human SW480 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) < 10 % Cytotoxicity against human H460 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) < 10 % Cytotoxicity against human A431 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) < 10 % Cytotoxicity against human DU145 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) = 13 % Cytotoxicity against human MCF7 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) = 14 % Cytotoxicity against human HT-29 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) = 15 % Cytotoxicity against human A2780 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915

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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