Detailed information for compound 337151

Basic information

Technical information
  • TDR Targets ID: 337151
  • Name: 5-bromo-6-[(4-nitroimidazol-1-yl)methyl]-1H-p yrimidine-2,4-dione
  • MW: 316.068 | Formula: C8H6BrN5O4
  • H donors: 2 H acceptors: 7 LogP: 0.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(O)c(c(n1)Cn1cnc(c1)[N+](=O)[O-])Br
  • InChi: 1S/C8H6BrN5O4/c9-6-4(11-8(16)12-7(6)15)1-13-2-5(10-3-13)14(17)18/h2-3H,1H2,(H2,11,12,15,16)
  • InChiKey: FZZLPTYUKLCVJS-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-bromo-6-[(4-nitro-1-imidazolyl)methyl]-1H-pyrimidine-2,4-dione
  • 5-bromo-6-[(4-nitroimidazol-1-yl)methyl]uracil

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli thymidine phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Echinococcus granulosus thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Echinococcus multilocularis thymidine phosphorylase Get druggable targets OG5_131632 All targets in OG5_131632
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) Get druggable targets OG5_131632 All targets in OG5_131632

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 0.0071 0.0698 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0029 0.0141 1
Leishmania major calcium-translocating P-type ATPase 0.0029 0.0141 1
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0029 0.0141 0.0078
Toxoplasma gondii plasma membrane-type Ca(2+)-ATPase A1 PMCAA1 0.0023 0.0064 0.4509
Echinococcus multilocularis Na+:K+ ATPase alpha subunit 0.0065 0.0621 0.0561
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0029 0.0141 1
Trypanosoma brucei vacuolar-type Ca2+-ATPase 1 0.0029 0.0141 1
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0029 0.0141 0.0078
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0029 0.0141 0.0078
Entamoeba histolytica calcium-transporting P-type ATPase, putative 0.0029 0.0141 0.5
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0765 1 1
Schistosoma mansoni ATPase 0.0029 0.0141 0.1219
Loa Loa (eye worm) hypothetical protein 0.0042 0.0311 0.4451
Trichomonas vaginalis cation-transporting ATPase, putative 0.0029 0.0141 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0029 0.0141 1
Toxoplasma gondii calcium-translocating P-type ATPase, PMCA-type protein 0.0029 0.0141 1
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0029 0.0141 0.5
Brugia malayi Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type 0.0023 0.0064 0.091
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0029 0.0141 0.0078
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0023 0.0064 0.4509
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0029 0.0141 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0452 0.6469
Brugia malayi Membrane calcium atpase protein 3 0.0023 0.0064 0.091
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0029 0.0141 1
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0029 0.0141 1
Onchocerca volvulus 0.0071 0.0698 0.5
Schistosoma mansoni na+/k+ atpase alpha subunit 0.0065 0.0621 0.8781
Trypanosoma cruzi calcium motive p-type ATPase, putative 0.0023 0.0064 0.4509
Schistosoma mansoni ATPase 0.0029 0.0141 0.1219
Toxoplasma gondii P-type ATPase4, putative 0.0029 0.0141 1
Leishmania major P-type ATPase, putative 0.0023 0.0064 0.4509
Trypanosoma brucei calcium motive p-type ATPase, putative 0.0023 0.0064 0.4509
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0216 0.2646 0.2633
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.2018
Trypanosoma brucei vacuolar-type Ca2+-ATPase 2 0.0029 0.0141 1
Trypanosoma brucei calcium-translocating P-type ATPase 0.0023 0.0064 0.4509
Leishmania major vacuolar-type Ca2 -ATPase, putative 0.0029 0.0141 1
Plasmodium falciparum non-SERCA-type Ca2+ -transporting P-ATPase 0.0029 0.0141 1
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0071 0.0698 1
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0061 0.0574 0.822
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0029 0.0141 0.5
Entamoeba histolytica Plasma membrane calcium-transporting ATPase, putative 0.0029 0.0141 0.5
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0071 0.0698 0.0683
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0029 0.0141 1
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0061 0.0574 0.822
Toxoplasma gondii sarco/endoplasmic reticulum Ca2+-ATPase 0.0029 0.0141 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0433 0.6203
Trypanosoma brucei vacuolar-type Ca2+-ATPase, putative 0.0029 0.0141 1
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0029 0.0141 0.0124
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0023 0.0064 0.4509
Plasmodium vivax P-type ATPase4, putative 0.0029 0.0141 0.5
Trypanosoma cruzi Calcium ATPase SERCA-like 0.0029 0.0141 1
Mycobacterium ulcerans thymidine phosphorylase 0.0765 1 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0029 0.0141 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0029 0.0141 1
Trypanosoma cruzi plasma membrane Ca2+ ATPase 0.0029 0.0141 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2646 1
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0029 0.0141 1
Leishmania major calcium-transporting ATPase, putative 0.0023 0.0064 0.4509
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0029 0.0141 0.1388
Plasmodium vivax calcium-transporting ATPase, putative 0.0029 0.0141 0.5
Echinococcus granulosus Na:K ATPase alpha subunit 0.0065 0.0621 0.0561
Brugia malayi Na,K-ATPase alpha subunit 0.0071 0.0698 1
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0029 0.0141 0.0078
Giardia lamblia Potassium-transporting ATPase alpha chain 1 0.0065 0.0621 1
Leishmania major calcium motive p-type ATPase, putative 0.0023 0.0064 0.4509
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2646 0.2633
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0029 0.0141 0.0078
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0071 0.0698 1
Echinococcus multilocularis thymidine phosphorylase 0.0765 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.6 uM Inhibitory concentration against thymidine phosphorylase of Escherichia coli ChEMBL. 15658853
IC50 (binding) = 6.6 uM Inhibitory concentration against thymidine phosphorylase of Escherichia coli ChEMBL. 15658853
IC50 (binding) = 181 uM Inhibitory concentration against human thymidine phosphorylase ChEMBL. 15658853
IC50 (binding) = 181 uM Inhibitory concentration against human thymidine phosphorylase ChEMBL. 15658853

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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