Detailed information for compound 1017657

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 184.149 | Formula: C7H8N2O4
  • H donors: 3 H acceptors: 4 LogP: -0.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCNC1=C(N)C(=O)C1=O
  • InChi: 1S/C7H8N2O4/c8-4-5(7(13)6(4)12)9-2-1-3(10)11/h9H,1-2,8H2,(H,10,11)
  • InChiKey: KZRPOKATSDHKMF-UHFFFAOYSA-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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0116 0.319 0.4471
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.1721 0.2264
Loa Loa (eye worm) hypothetical protein 0.0037 0.0415 0.0301
Schistosoma mansoni mannose-6-phosphate isomerase 0.0103 0.2747 0.588
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0215 0.0781
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0443 0.053
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0241 0.006
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0106 0.2856 0.6133
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0595 0.0884
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.0415 0.0301
Loa Loa (eye worm) hypothetical protein 0.0041 0.0583 0.0553
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0088 0.2222 0.3017
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0047 0.0786 0.0786
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.171 0.2247
Echinococcus multilocularis chromobox protein 1 0.0074 0.1721 0.3499
Toxoplasma gondii phosphomannose isomerase type I protein 0.0103 0.2747 1
Schistosoma mansoni chromobox protein 0.0074 0.1721 0.3499
Brugia malayi Pre-SET motif family protein 0.022 0.687 1
Echinococcus granulosus chromobox protein 1 0.0074 0.1721 0.3649
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1721 0.1588
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0103 0.2747 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0716 0.1237
Brugia malayi hypothetical protein 0.0042 0.0595 0.0572
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.2681 0.5729
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0443 0.0343
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.4521 1
Schistosoma mansoni hypothetical protein 0.0037 0.0415 0.0465
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0716 0.2605
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0693 0.0543
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.2856 0.6133
Schistosoma mansoni hypothetical protein 0.0037 0.0415 0.0465
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0103 0.2747 0.263
Schistosoma mansoni tar DNA-binding protein 0.0073 0.171 0.3473
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0056 0.1091 0.2457
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.2681 0.5952
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0583 0.0377
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0241 0.006
Brugia malayi Bromodomain containing protein 0.0035 0.0347 0.0198
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0103 0.2747 1
Echinococcus granulosus chromobox protein 1 0.0074 0.1721 0.3649
Brugia malayi jmjC domain containing protein 0.0037 0.0443 0.0343
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0443 0.0583
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1721 0.1588
Brugia malayi RNA binding protein 0.0073 0.171 0.2247
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0116 0.319 0.4471
Onchocerca volvulus 0.0032 0.0269 0.007
Loa Loa (eye worm) RNA binding protein 0.0073 0.171 0.2247
Schistosoma mansoni hypothetical protein 0.0037 0.0415 0.0465
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.2856 0.6133
Schistosoma mansoni tar DNA-binding protein 0.0073 0.171 0.3473
Brugia malayi chromobox protein homolog 3 0.0041 0.0583 0.0553
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.0415 0.0516
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0583 0.0477
Trypanosoma brucei phosphomannose isomerase 0.0103 0.2747 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0241 0.006
Entamoeba histolytica hypothetical protein 0.0042 0.0595 0.0595
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0044 0.0665 0.1045
Loa Loa (eye worm) hypothetical protein 0.0116 0.319 0.4471
Echinococcus multilocularis chromobox protein 1 0.0074 0.1721 0.3499
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Trichomonas vaginalis set domain proteins, putative 0.0251 0.794 0.7907
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0106 0.2856 0.6133
Brugia malayi TAR-binding protein 0.0073 0.171 0.2247
Brugia malayi Pre-SET motif family protein 0.0032 0.0241 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0073 0.171 0.3473
Schistosoma mansoni hypothetical protein 0.0042 0.0595 0.0884
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0639 0.0986
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0056 0.1091 0.2457
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0639 0.1054
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0106 0.2856 0.3968
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0443 0.053
Onchocerca volvulus 0.0251 0.794 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0595 0.0884
Echinococcus multilocularis L aminoadipate semialdehyde 0.0088 0.2222 0.4663
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0716 0.2605
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.0415 0.0465
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0103 0.2747 0.3804
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0106 0.2856 0.637
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0215 0.0036
Treponema pallidum fructose-bisphosphate aldolase 0.0309 1 1
Entamoeba histolytica hypothetical protein 0.0042 0.0595 0.0595
Echinococcus granulosus GPCR family 2 0.0037 0.0415 0.0516
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0716 0.0566
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0103 0.2747 0.588
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0106 0.2856 0.3968
Loa Loa (eye worm) hypothetical protein 0.0032 0.0241 0.0039
Echinococcus multilocularis GPCR, family 2 0.0037 0.0415 0.0465
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.4521 0.647
Brugia malayi Latrophilin receptor protein 2 0.0037 0.0415 0.0301
Trypanosoma cruzi phosphomannose isomerase, putative 0.0103 0.2747 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.0415 0.0301
Echinococcus multilocularis tar DNA binding protein 0.0073 0.171 0.3473
Schistosoma mansoni jumonji domain containing protein 0.008 0.1952 0.4034
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0215 0.0781
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.1369 0.1735
Schistosoma mansoni hypothetical protein 0.0037 0.0415 0.0465
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0151 0.444 1
Loa Loa (eye worm) acetyltransferase 0.0153 0.4521 0.647
Schistosoma mansoni tar DNA-binding protein 0.0073 0.171 0.3473
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.0415 0.0465
Brugia malayi Heterochromatin protein 1 0.0074 0.1721 0.2264
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0693 0.0543
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.171 0.2247
Schistosoma mansoni chromobox protein 0.0074 0.1721 0.3499
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Plasmodium vivax SET domain protein, putative 0.0032 0.0241 0.0876
Schistosoma mansoni hypothetical protein 0.0079 0.1906 0.3927
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0241 0.006
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.687 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0241 0.0876
Plasmodium falciparum phd finger protein, putative 0.0031 0.0215 0.0781
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0151 0.444 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0151 0.444 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0583 0.0583
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0309 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.4521 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.2222 0.3017
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0583 0.2124
Leishmania major phosphomannose isomerase 0.0103 0.2747 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0583 0.0431
Loa Loa (eye worm) hypothetical protein 0.016 0.475 0.6814
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0103 0.2747 0.6186
Echinococcus granulosus mannose 6 phosphate isomerase 0.0103 0.2747 0.6108
Schistosoma mansoni tar DNA-binding protein 0.0073 0.171 0.3473
Trypanosoma cruzi phosphomannose isomerase, putative 0.0103 0.2747 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0716 0.0566
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0025 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0595 0.0949
Entamoeba histolytica hypothetical protein 0.0042 0.0595 0.0595
Onchocerca volvulus 0.0088 0.2222 0.2599
Entamoeba histolytica phosphomannose isomerase, putative 0.0103 0.2747 0.2747
Loa Loa (eye worm) hypothetical protein 0.0032 0.0269 0.0082
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0443 0.053
Loa Loa (eye worm) hypothetical protein 0.0053 0.0989 0.1164
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.1906 0.2541
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0088 0.2222 0.4663
Loa Loa (eye worm) TAR-binding protein 0.0073 0.171 0.2247
Onchocerca volvulus 0.0044 0.0665 0.0583
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0241 0.0098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0116 0.319 0.4471
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0583 0.0431
Brugia malayi hypothetical protein 0.016 0.475 0.6814
Brugia malayi jmjC domain containing protein 0.0101 0.2681 0.3706
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0693 0.0619
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0215 0.0781
Giardia lamblia Fructose-bisphosphate aldolase 0.0309 1 1
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0103 0.2747 0.3804
Onchocerca volvulus 0.016 0.475 0.5871
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0103 0.2747 0.3804
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0716 0.2605
Echinococcus granulosus histone acetyltransferase KAT2B 0.0149 0.437 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.1906 0.2541
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.2856 0.6133
Echinococcus granulosus peregrin 0.0035 0.0347 0.0352
Echinococcus multilocularis peregrin 0.0035 0.0347 0.0307
Echinococcus granulosus L aminoadipate semialdehyde 0.0088 0.2222 0.4851
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0309 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0106 0.2856 0.637
Echinococcus granulosus tar DNA binding protein 0.0073 0.171 0.3622
Entamoeba histolytica hypothetical protein 0.0042 0.0595 0.0595
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0241 0.006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.0415 0.0516
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0103 0.2747 0.3804

Activities

No activities found for this compound.

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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