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

Hover on a compound node to display the structore

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.