Detailed information for compound 1895513

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.253 | Formula: C11H15N3O7
  • H donors: 4 H acceptors: 5 LogP: -2.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(OCC(=O)N)c(=O)[nH]c1=O
  • InChi: 1S/C11H15N3O7/c12-8(17)4-20-6-2-14(11(19)13-10(6)18)9-1-5(16)7(3-15)21-9/h2,5,7,9,15-16H,1,3-4H2,(H2,12,17)(H,13,18,19)/t5-,7+,9+/m0/s1
  • InChiKey: DRCSUKSQMPHHKJ-MTQIGAJGSA-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
Loa Loa (eye worm) hypothetical protein 0.0144 0.3287 0.4864
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0168 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0295 0.7058 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1092 0.6057
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.1453 0.1801
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0119 0.2673 0.3637
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0377 0.0293
Echinococcus multilocularis dna polymerase kappa 0.0119 0.2673 0.2673
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Leishmania major DNA damage repair protein, putative 0.0029 0.0411 0.0341
Schistosoma mansoni hypothetical protein 0.0342 0.8233 0.8233
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.7058 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.3741 0.5572
Schistosoma mansoni hypothetical protein 0.0342 0.8233 0.8233
Brugia malayi Pre-SET motif family protein 0.0031 0.0462 0.0507
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0144 0.3291 0.487
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7058 1
Echinococcus granulosus muscleblind protein 0.0162 0.3741 0.3741
Brugia malayi Cytochrome P450 family protein 0.0023 0.0264 0.02
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0764 0.0835
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0099 0.217 0.2806
Echinococcus granulosus dna polymerase kappa 0.0119 0.2673 0.2673
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0462 0.0462
Trypanosoma brucei DNA polymerase kappa, putative 0.0099 0.217 0.2806
Trypanosoma brucei DNA polymerase IV, putative 0.0119 0.2673 0.3512
Leishmania major DNA polymerase kappa, putative 0.0099 0.217 0.2806
Onchocerca volvulus 0.024 0.5678 1
Schistosoma mansoni cpg binding protein 0.0029 0.0417 0.0417
Schistosoma mansoni cpg binding protein 0.0031 0.0459 0.0459
Leishmania major DNA polymerase kappa, putative 0.0029 0.0411 0.0341
Schistosoma mansoni DNA polymerase IV / kappa 0.0029 0.0411 0.0411
Trypanosoma brucei unspecified product 0.0064 0.1287 0.1568
Leishmania major DNA polymerase eta, putative 0.008 0.1694 0.2139
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0035 0.0577 0.268
Leishmania major hypothetical protein, conserved 0.0027 0.0377 0.0293
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0168 0.0168
Brugia malayi Pre-SET motif family protein 0.0211 0.4954 0.7475
Trichomonas vaginalis glutaminase, putative 0.0276 0.6582 0.9309
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0377 0.7111
Mycobacterium ulcerans glutaminase 0.0276 0.6582 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0264 0.015
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0998 0.1163
Mycobacterium ulcerans DNA polymerase IV 0.0119 0.2673 0.3907
Brugia malayi glutaminase DH11.1 0.0276 0.6582 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7058 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7058 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0377 0.0293
Schistosoma mansoni terminal deoxycytidyl transferase 0.0093 0.2003 0.2003
Echinococcus multilocularis geminin 0.0342 0.8233 0.8233
Trypanosoma cruzi DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Giardia lamblia DNA damage repair protein 0.0029 0.0411 0.0353
Echinococcus granulosus dna polymerase eta 0.0144 0.3287 0.3287
Trypanosoma cruzi DNA polymerase eta, putative 0.0144 0.3287 0.4372
Leishmania major DNA polymerase eta, putative 0.0144 0.3287 0.4372
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0764 0.0835
Mycobacterium ulcerans hypothetical protein 0.0029 0.0411 0.0379
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0462 0.0462
Plasmodium vivax DNA repair protein REV1, putative 0.0029 0.0411 0.8262
Echinococcus multilocularis cpg binding protein 0.0031 0.0459 0.0459
Schistosoma mansoni hypothetical protein 0.0413 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0462 0.0462
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0462 0.1926
Treponema pallidum fructose-bisphosphate aldolase 0.0295 0.7058 1
Echinococcus multilocularis muscleblind protein 1 0.0162 0.3741 0.3741
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0462 0.0462
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0764 0.0835
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.4954 0.7462
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0377 0.137
Brugia malayi CXXC zinc finger family protein 0.0029 0.0417 0.0438
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.3702 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7058 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0764 0.0835
Onchocerca volvulus 0.0031 0.0462 0.0084
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.0411 0.0341
Trypanosoma cruzi DNA damage repair protein, putative 0.0029 0.0411 0.0341
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0417 0.0389
Trypanosoma cruzi DNA damage repair protein, putative 0.0029 0.0411 0.0341
Trichomonas vaginalis DNA polymerase eta, putative 0.0119 0.2673 0.3637
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Trypanosoma cruzi DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Mycobacterium ulcerans DNA polymerase IV 0.0119 0.2673 0.3907
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0093 0.2003 0.2862
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.1081 0.1279
Loa Loa (eye worm) glutaminase 2 0.0276 0.6582 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0462 0.0462
Loa Loa (eye worm) hypothetical protein 0.0162 0.3741 0.5572
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7058 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0462 0.0462
Brugia malayi ImpB/MucB/SamB family protein 0.0093 0.2003 0.2899
Toxoplasma gondii hypothetical protein 0.0049 0.0921 0.4935
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7058 1
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0411 0.0341
Brugia malayi hypothetical protein 0.0027 0.0377 0.0375
Echinococcus multilocularis muscleblind protein 0.0162 0.3741 0.3741
Trypanosoma brucei DNA polymerase IV, putative 0.0119 0.2673 0.3512
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Leishmania major mitochondrial DNA polymerase beta 0.0305 0.7304 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0168 0.0051
Loa Loa (eye worm) glutaminase 0.0276 0.6582 1
Schistosoma mansoni glutaminase 0.0276 0.6582 0.6582
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0377 0.8607
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0144 0.3291 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.3295 0.4383
Schistosoma mansoni cpg binding protein 0.0031 0.0459 0.0459
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.3295 0.4383
Plasmodium falciparum DNA repair protein REV1, putative 0.0029 0.0411 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Trypanosoma brucei DNA damage repair protein, putative 0.0029 0.0411 0.0341
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.1256 0.1256
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7058 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0029 0.0411 0.1592
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0295 0.7058 1
Schistosoma mansoni ap endonuclease 0.0019 0.0168 0.0168
Toxoplasma gondii ImpB/MucB/SamB family protein 0.008 0.1694 1
Giardia lamblia DINP protein human, muc B family 0.0099 0.217 0.2906
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0295 0.7058 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0305 0.7304 1
Echinococcus multilocularis dnaJ subfamily B 0.0413 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0093 0.2003 0.2003
Brugia malayi ImpB/MucB/SamB family protein 0.0144 0.3287 0.489
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.0411 0.0341
Schistosoma mansoni ap endonuclease 0.0019 0.0168 0.0168
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0418 0.0418
Mycobacterium ulcerans hypothetical protein 0.0161 0.3702 0.5511
Plasmodium vivax SET domain protein, putative 0.0031 0.0462 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0099 0.217 0.5665
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.1453 0.1801
Brugia malayi Muscleblind-like protein 0.0162 0.3741 0.5595
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0377 0.0293
Loa Loa (eye worm) hypothetical protein 0.0056 0.1081 0.1423
Mycobacterium tuberculosis Conserved hypothetical protein 0.0093 0.2003 0.5194
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0144 0.3291 0.8838
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0462 0.0462
Brugia malayi polk-prov protein 0.0056 0.1081 0.1467
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0411 0.0341
Trypanosoma brucei DNA damage repair protein, putative 0.0029 0.0411 0.0341
Trypanosoma brucei unspecified product 0.0113 0.2507 0.3279
Trypanosoma brucei DNA polymerase kappa, putative 0.0056 0.1081 0.1279
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.0031 0.0462 0.0459
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Entamoeba histolytica deoxycytidyl transferase, putative 0.0093 0.2003 0.2664
Trypanosoma cruzi DNA polymerase eta, putative 0.008 0.1694 0.2139
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.7304 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0377 0.8607
Loa Loa (eye worm) hypothetical protein 0.0027 0.0377 0.0326
Echinococcus granulosus cpg binding protein 0.0031 0.0459 0.0459
Trichomonas vaginalis set domain proteins, putative 0.024 0.5678 0.7997
Schistosoma mansoni DNA polymerase eta 0.0144 0.3287 0.3287
Trypanosoma brucei chrX additional, unordered contigs 0.0029 0.0411 0.0341
Trypanosoma brucei unspecified product 0.0064 0.1287 0.1568
Trypanosoma brucei DNA polymerase IV, putative 0.0113 0.2507 0.3279
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0093 0.2003 0.2003
Echinococcus multilocularis dna polymerase eta 0.0144 0.3287 0.3287
Trypanosoma cruzi DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Trypanosoma brucei DNA polymerase kappa, putative 0.0071 0.1453 0.1801
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.3295 0.4383
Trypanosoma brucei DNA polymerase kappa, putative 0.0119 0.2673 0.3512
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.7304 1
Echinococcus granulosus geminin 0.0342 0.8233 0.8233
Trypanosoma brucei DNA polymerase eta, putative 0.0144 0.3287 0.4372
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0093 0.2003 0.2003

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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