Detailed information for compound 1999546

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 240.213 | Formula: C10H12N2O5
  • H donors: 2 H acceptors: 3 LogP: -0.82 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H]2[C@H](C1O)Oc1n2cc(C)c(=O)n1
  • InChi: 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6?,7+,9-/m1/s1
  • InChiKey: WLLOAUCNUMYOQI-AOXOCZDOSA-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 cadherin EGF LAG seven pass G type receptor 0.0054 0.019 0.0338
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0151 0.0672 0.1197
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0049 0.0207
Onchocerca volvulus 0.008 0.032 0.1006
Schistosoma mansoni smad 0.0018 0.0011 0.002
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0101 0.0101
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.002 0.0035
Brugia malayi Cytochrome P450 family protein 0.0026 0.0049 0.0207
Schistosoma mansoni hypothetical protein 0.1145 0.5614 1
Brugia malayi CXXC zinc finger family protein 0.008 0.032 0.1341
Mycobacterium leprae PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE) 0.1583 0.7789 0.7789
Schistosoma mansoni peptidase Clp (S14 family) 0.0151 0.0672 0.1197
Schistosoma mansoni cpg binding protein 0.008 0.032 0.057
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0286 0.051
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0052 0.0179 0.1551
Schistosoma mansoni ferritin 0.002 0.0018 0.0032
Echinococcus multilocularis peptidase Clp (S14 family) 0.0099 0.0413 0.0736
Loa Loa (eye worm) hypothetical protein 0.0165 0.0741 0.3103
Schistosoma mansoni lozenge 0.0062 0.023 0.0409
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0099 0.0413 0.0413
Brugia malayi Smad1 0.0018 0.0011 0.0048
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.002 0.0035
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.019 0.0794
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0151 0.0672 0.0672
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.2027 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.008 0.032 0.1341
Schistosoma mansoni hypothetical protein 0.039 0.186 0.3314
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0165 0.0294
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0171 0.0768 0.1369
Chlamydia trachomatis DNA polymerase III subunit alpha 0.1575 0.775 1
Brugia malayi Probable ClpP-like protease 0.0151 0.0672 0.2814
Toxoplasma gondii hypothetical protein 0.0052 0.0179 0.2645
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.0472 0.0841
Schistosoma mansoni jumonji domain containing protein 0.0088 0.0359 0.0639
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0099 0.0413 0.0413
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0031 0.0075 0.0133
Schistosoma mansoni cpg binding protein 0.0085 0.0343 0.0611
Leishmania major cytochrome p450-like protein 0.0026 0.0049 0.0857
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0132 0.0576 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0209 0.0876
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0089 0.0158
Schistosoma mansoni ferritin 0.002 0.0018 0.0032
Echinococcus granulosus expressed protein 0.002 0.0018 0.0032
Loa Loa (eye worm) jmjC domain-containing protein 0.0046 0.0147 0.0616
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0052 0.0179 0.0179
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.019 0.0338
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0155 0.0276
Brugia malayi Cytochrome P450 family protein 0.0059 0.0215 0.09
Echinococcus multilocularis dnaJ subfamily B 0.1145 0.5614 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.013 0.0231
Loa Loa (eye worm) runx1 0.0062 0.023 0.0963
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0151 0.0672 0.0672
Schistosoma mansoni ferritin light chain 0.002 0.0018 0.0032
Schistosoma mansoni hypothetical protein 0.0054 0.019 0.0338
Giardia lamblia PHD finger protein 15 0.0034 0.0089 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.019 0.0794
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0918 0.4484 0.7988
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.002 0.0018 0.0018
Schistosoma mansoni ferritin 0.002 0.0018 0.0032
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0132 0.0576 0.0576
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0151 0.0672 0.0846
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.0772 0.3232
Mycobacterium ulcerans isocitrate lyase AceAb 0.2027 1 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0011 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.013 0.0231
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.0576 0.1025
Wolbachia endosymbiont of Brugia malayi DNA polymerase III alpha subunit 0.1575 0.775 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0151 0.0672 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.0772 0.3232
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0011 0.0048
Echinococcus multilocularis cpg binding protein 0.0085 0.0343 0.0611
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.2027 1 1
Brugia malayi MH2 domain containing protein 0.0018 0.0011 0.0048
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0011 0.002
Schistosoma mansoni hypothetical protein 0.0054 0.019 0.0338
Loa Loa (eye worm) histone methyltransferase 0.0025 0.0044 0.0184
Schistosoma mansoni ferritin light chain 0.002 0.0018 0.0032
Echinococcus multilocularis Smad4 0.0018 0.0011 0.002
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0286 0.12
Loa Loa (eye worm) RNA binding protein 0.0074 0.0286 0.12
Brugia malayi Bromodomain containing protein 0.0034 0.0089 0.0372
Loa Loa (eye worm) hypothetical protein 0.0034 0.0089 0.0372
Brugia malayi MH2 domain containing protein 0.0269 0.1257 0.5266
Loa Loa (eye worm) transcription factor SMAD2 0.0269 0.1257 0.5266
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0576 0.0576
Schistosoma mansoni hypothetical protein 0.0034 0.0089 0.0158
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0049 1
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0049 1
Schistosoma mansoni single-minded 0.0049 0.0165 0.0294
Brugia malayi PHD-finger family protein 0.0034 0.0089 0.0372
Echinococcus granulosus Smad4 0.0018 0.0011 0.002
Echinococcus granulosus tar DNA binding protein 0.0074 0.0286 0.051
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0286 0.051
Mycobacterium ulcerans bacterioferritin BfrB 0.002 0.0018 0.0018
Schistosoma mansoni smad1 5 8 and 0.0018 0.0011 0.002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0576 0.0576
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0268 0.1124
Toxoplasma gondii aldehyde dehydrogenase 0.0132 0.0576 0.8492
Loa Loa (eye worm) hypothetical protein 0.0171 0.0772 0.3232
Mycobacterium ulcerans error-prone DNA polymerase 0.1575 0.775 0.775
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0132 0.0576 0.1025
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0124 0.0221
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0151 0.0672 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0286 0.051
Brugia malayi F/Y-rich N-terminus family protein 0.0036 0.0098 0.0408
Schistosoma mansoni hypothetical protein 0.0054 0.019 0.0338
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0286 0.12
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0049 0.0049
Brugia malayi PAS domain containing protein 0.0049 0.0165 0.0691
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0089 0.1311
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0011 0.002
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.0576 0.1025
Onchocerca volvulus 0.0036 0.0101 0.0055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.013 0.0231
Echinococcus multilocularis GPCR, family 2 0.0054 0.019 0.0338
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0215 0.09
Echinococcus granulosus lysine specific demethylase 5A 0.0046 0.0147 0.0262
Echinococcus multilocularis geminin 0.039 0.186 0.3314
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.0772 0.3232
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.019 0.0338
Mycobacterium ulcerans isocitrate lyase Icl 0.2027 1 1
Echinococcus multilocularis smad 0.0018 0.0011 0.002
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0151 0.0672 0.0672
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase) 0.1583 0.7789 0.7789
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0155 0.0276
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0099 0.0413 0.0413
Schistosoma mansoni ferritin 0.002 0.0018 0.0032
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.002 0.0018 0.0018
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0052 0.0179 0.1551
Treponema pallidum DNA polymerase III subunit alpha 0.1575 0.775 1
Brugia malayi jmjC domain containing protein 0.0046 0.0147 0.0616
Schistosoma mansoni jumonji/arid domain-containing protein 0.0046 0.0147 0.0262
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0151 0.0672 0.9913
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0011 0.0048
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0089 0.0372
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.2027 1 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0152 0.0677 0.2837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.013 0.0231
Mycobacterium tuberculosis Conserved hypothetical protein 0.0298 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.0151 0.0672 0.2814
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0089 0.1311
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase) 0.1583 0.7789 0.7789
Mycobacterium tuberculosis Bacterioferritin BfrB 0.002 0.0018 0.0018
Loa Loa (eye worm) Smad1 0.0018 0.0011 0.0048
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0286 0.12
Brugia malayi MH1 domain containing protein 0.0018 0.0011 0.0048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.013 0.0231
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0049 0.0207
Schistosoma mansoni apoferritin-2 0.002 0.0018 0.0032
Schistosoma mansoni hypothetical protein 0.039 0.186 0.3314
Brugia malayi Latrophilin receptor protein 2 0.0054 0.019 0.0794
Loa Loa (eye worm) hypothetical protein 0.0117 0.0502 0.2104
Loa Loa (eye worm) hypothetical protein 0.0496 0.2388 1
Echinococcus granulosus ferritin 0.002 0.0018 0.0032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.019 0.0338
Schistosoma mansoni hypothetical protein 0.0054 0.019 0.0338
Echinococcus granulosus smad 0.0018 0.0011 0.002
Loa Loa (eye worm) hypothetical protein 0.0496 0.2388 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0011 0.002
Echinococcus multilocularis Protein lozenge 0.0062 0.023 0.0409
Schistosoma mansoni jumonji/arid domain-containing protein 0.0046 0.0147 0.0262
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0132 0.0576 0.1025
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0049 0.0207
Onchocerca volvulus 0.0496 0.2388 1
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0101 0.0425
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0576 0.0576
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.013 0.0231
Schistosoma mansoni apoferritin-2 0.002 0.0018 0.0032
Schistosoma mansoni smad1 5 8 and 0.0018 0.0011 0.002
Schistosoma mansoni smad1 5 8 and 0.0018 0.0011 0.002
Schistosoma mansoni hypothetical protein 0.0117 0.0502 0.0895
Brugia malayi RNA binding protein 0.0074 0.0286 0.12
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0089 0.0158
Echinococcus granulosus geminin 0.039 0.186 0.3314
Echinococcus granulosus peptidase Clp S14 family 0.0099 0.0413 0.0736
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.0472 0.0841
Mycobacterium ulcerans hypothetical protein 0.0298 0.1401 0.1401
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.013 0.0231
Brugia malayi jmjC domain containing protein 0.0111 0.0472 0.1978
Toxoplasma gondii histone lysine methyltransferase SET1 0.0152 0.0678 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0089 0.0158
Echinococcus granulosus dnaJ subfamily B 0.1145 0.5614 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0011 0.002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.019 0.0794
Echinococcus multilocularis expressed protein 0.002 0.0018 0.0032
Schistosoma mansoni cpg binding protein 0.0085 0.0343 0.0611
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0025 0.0044 0.0078
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0049 1
Schistosoma mansoni Smad4 0.0018 0.0011 0.002
Echinococcus granulosus peregrin 0.0034 0.0089 0.0158
Echinococcus granulosus GPCR family 2 0.0054 0.019 0.0338
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0101 0.0181
Brugia malayi hypothetical protein 0.0496 0.2388 1
Brugia malayi hypothetical protein 0.0165 0.0741 0.3103
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0042 0.013 0.0544
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0286 0.051
Echinococcus granulosus single minded 2 0.0036 0.0101 0.0181
Brugia malayi hypoxia-induced factor 1 0.0152 0.0677 0.2837
Brugia malayi MH2 domain containing protein 0.0018 0.0011 0.0048
Echinococcus multilocularis ferritin 0.002 0.0018 0.0032
Brugia malayi MH1 domain containing protein 0.0018 0.0011 0.0048
Mycobacterium ulcerans bacterioferritin BfrA 0.002 0.0018 0.0018
Echinococcus multilocularis mixed lineage leukemia protein mll 0.002 0.002 0.0035
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0052 0.0179 0.0209
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.0502 0.2104
Echinococcus granulosus mixed lineage leukemia protein mll 0.002 0.002 0.0035
Brugia malayi Cytochrome P450 family protein 0.0026 0.0049 0.0207
Echinococcus granulosus cpg binding protein 0.0085 0.0343 0.0611
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0286 0.051
Echinococcus multilocularis peregrin 0.0034 0.0089 0.0158
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0151 0.0672 0.1197
Mycobacterium ulcerans DNA polymerase III subunit alpha 0.1575 0.775 0.775
Mycobacterium leprae Isocitrate lyase 0.095 0.4645 0.4645
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0286 0.051
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0151 0.0672 0.0846
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0151 0.0672 0.9913
Trichomonas vaginalis ferritin, putative 0.002 0.0018 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0025 0.0044 0.0078
Brugia malayi TAR-binding protein 0.0074 0.0286 0.12
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.013 0.0544
Loa Loa (eye worm) MH2 domain-containing protein 0.0269 0.1257 0.5266

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) < 100000 nM BindingDB_Patents: Enzyme Assay. The aim of this study was to evaluate TK-112690 in vivo as an inhibitor of uridine phosphorylase (UPase) enzyme activity. The range of TK-112690 doses studied for ability to prevent metabolic breakdown of uridine, through the in vitro inhibition of mouse and human small intestinal UPase enzyme, was 0, 0.1, 0.5, 1, 5, 10, 50, 100, 500, 1000, 5000 and 10000 uM). Detection of UPase activity was determined by HPLC analysis using UV detection of uracil concentration (UPase catabolizes uridine into uracil and ribose-1-phosphate).The UPase enzyme material was prepared from homogenized mouse and human being small intestinal tissue. TK-112690 was dissolved in water (50 mg/ml) and analyzed for UPase inhibition in aqueous solution containing 5 mM uridine, 0.01 M Tris, 0.01 M phosphate, 1 mM EDTA, and 1 mM DTT. Reactions were performed at 37 C. at pH of 7.3.TK-11260 inhibition of mouse and human UPase was analyzed by reverse phase HPLC using UV detection. 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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