Detailed information for compound 286897

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.673 | Formula: C10H13ClN2O6
  • H donors: 3 H acceptors: 4 LogP: -1.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(C(C1O)O)n1ncc(c(c1=O)Cl)OC
  • InChi: 1S/C10H13ClN2O6/c1-18-4-2-12-13(9(17)6(4)11)10-8(16)7(15)5(3-14)19-10/h2,5,7-8,10,14-16H,3H2,1H3
  • InChiKey: FZHJSGWIOBIBLU-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
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0703 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2899 0.2899
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0595 0.0595
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0372 0.104
Brugia malayi hypothetical protein 0.0018 0.0099 0.0099
Trichomonas vaginalis esterase, putative 0.004 0.0703 1
Entamoeba histolytica hypothetical protein 0.0036 0.0595 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0595 0.0595
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0255 0.6641 0.6387
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0703 0.1964
Brugia malayi Dihydrofolate reductase 0.0376 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0865 0.0865
Loa Loa (eye worm) hypothetical protein 0.004 0.0703 0.0703
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0376 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0865 0.0865
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0703 0.0703
Leishmania major hypothetical protein, conserved 0.004 0.0703 0.1964
Schistosoma mansoni hypothetical protein 0.0036 0.0595 0.0595
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0372 0.104
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0144 0.3577 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0865 0.0865
Loa Loa (eye worm) hypothetical protein 0.004 0.0703 0.0703
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0703 0.0703
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0865 0.0865
Loa Loa (eye worm) beta-lactamase 0.004 0.0703 0.0703
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0703 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0372 0.104
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0703 0.1964
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0144 0.3577 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0703 0.0703
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0703 0.0703
Schistosoma mansoni dihydrofolate reductase 0.0376 1 1
Giardia lamblia Phosphatidylinositol-4-phosphate 5-kinase, putative 0.0014 0 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0144 0.3577 1
Loa Loa (eye worm) dihydrofolate reductase 0.0376 1 1
Leishmania major hypothetical protein, conserved 0.0028 0.0372 0.104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0865 0.0865
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.018 0.4575 0.4575
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0144 0.3577 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2899 0.2899
Toxoplasma gondii ABC1 family protein 0.004 0.0703 0.1964
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0595 0.0595
Giardia lamblia Hypothetical protein 0.0014 0 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0376 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0703 0.0703
Loa Loa (eye worm) hypothetical protein 0.004 0.0703 0.0703
Plasmodium vivax hypothetical protein, conserved 0.004 0.0703 0.1964
Loa Loa (eye worm) pip kinase 2 0.018 0.4575 0.4575
Echinococcus granulosus dihydrofolate reductase 0.0376 1 1
Brugia malayi beta-lactamase family protein 0.004 0.0703 0.0703
Loa Loa (eye worm) hypothetical protein 0.018 0.4575 0.4575
Loa Loa (eye worm) hypothetical protein 0.004 0.0703 0.0703
Brugia malayi hypothetical protein 0.0036 0.0595 0.0595
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0865 0.0865
Brugia malayi hypothetical protein 0.0028 0.0372 0.0372
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.018 0.4575 0.4575
Brugia malayi MH2 domain containing protein 0.0119 0.2899 0.2899
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0372 0.104
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0144 0.3577 1
Onchocerca volvulus 0.018 0.4575 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0865 0.0865
Chlamydia trachomatis dihydrofolate reductase 0.0376 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0865 0.0865
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0703 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.018 0.4575 0.4575
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0865 0.0865
Loa Loa (eye worm) hypothetical protein 0.004 0.0703 0.0703
Brugia malayi beta-lactamase 0.004 0.0703 0.0703
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0703 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0372 0.104
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0703 0.0703
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0372 0.104
Brugia malayi Pip kinase protein 2 0.018 0.4575 0.4575
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.018 0.4575 0.4575
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0144 0.3577 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0372 0.104
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0703 1
Entamoeba histolytica hypothetical protein 0.0036 0.0595 1
Entamoeba histolytica hypothetical protein 0.0036 0.0595 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0372 0.0372
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0376 1 1
Echinococcus multilocularis dihydrofolate reductase 0.0376 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0703 0.0703
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0703 0.1964
Entamoeba histolytica hypothetical protein 0.0036 0.0595 1
Brugia malayi beta-lactamase family protein 0.004 0.0703 0.0703

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) 0 M In vitro inhibitory activity against growth of L1210 mouse leukemia cells at 10E-4 M concentration; IA means Inactive ChEMBL. 7108897
ILS (functional) > 25 % In vivo percent increase in life span (%ILS) of mice bearing L1210 leukemia at a dose of 400 mg/kg ChEMBL. 7108897

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

1 literature reference was collected for this gene.

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