Detailed information for compound 268069

Basic information

Technical information
  • TDR Targets ID: 268069
  • Name: 1-(2,4-dinitroimidazol-1-yl)-3-methoxypropan- 2-ol
  • MW: 246.177 | Formula: C7H10N4O6
  • H donors: 1 H acceptors: 6 LogP: -0.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1nc(cn1CC(COC)O)[N+](=O)[O-]
  • InChi: 1S/C7H10N4O6/c1-17-4-5(12)2-9-3-6(10(13)14)8-7(9)11(15)16/h3,5,12H,2,4H2,1H3
  • InChiKey: LNFJOBOCHMMLNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,4-dinitroimidazol-1-yl)-3-methoxy-propan-2-ol
  • 1-(2,4-dinitro-1-imidazolyl)-3-methoxy-2-propanol
  • 1-(2,4-dinitro-1-imidazolyl)-3-methoxypropan-2-ol

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
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0507 0.0507
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0172 1 1
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0172 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.172 0.172
Loa Loa (eye worm) hypothetical protein 0.0172 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.2563 0.2563
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0172 1 1
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0172 1 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0172 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0109 0.5477 0.5477
Schistosoma mansoni jumonji domain containing protein 0.0087 0.3857 0.3857
Loa Loa (eye worm) hypothetical protein 0.0172 1 1
Giardia lamblia PHD finger protein 15 0.0033 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0507 0.0507
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0172 1 0.5
Echinococcus granulosus Msx-like 0.0165 0.949 0.949
Loa Loa (eye worm) acyltransferase 0.0172 1 1
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0172 1 1
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0172 1 1
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0943 0.0943
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0507 0.0507
Onchocerca volvulus Alhambra homolog 0.0033 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1709 0.1709
Treponema pallidum lysophosphatidic acid acyltransferase 0.0172 1 0.5
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0172 1 1
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0172 1 0.5
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0172 1 0.5
Echinococcus multilocularis homeobox 0.0165 0.949 0.949
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0172 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1709 0.1709
Schistosoma mansoni hypothetical protein 0.0039 0.0407 0.0407
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1709 0.1709
Brugia malayi jmjC domain containing protein 0.0109 0.5477 0.5477
Loa Loa (eye worm) hypothetical protein 0.0039 0.0407 0.0407
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0109 0.5477 0.5477
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0172 1 1
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0172 1 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0172 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.1709 0.1709
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0172 1 0.5
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0172 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0507 0.0507
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0172 1 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0407 0.0407
Schistosoma mansoni transcription factor 0.0165 0.949 0.949
Loa Loa (eye worm) hypothetical protein 0.0165 0.949 0.949
Brugia malayi jmjC domain containing protein 0.004 0.0507 0.0507
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0943 0.0943
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0507 0.0507
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0172 1 0.5
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0172 1 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 2.2 mM Concentration needed to achieve 50% kill of chinese hamster cells under oxygenated conditions on exposure for 2 hours ChEMBL. 7241517
Enhancement ratio (functional) = 1.8 Radiosensitizing effectivity evaluated as its ability to sensitize hypoxic Chinese hamster cells (V-79) towards ionizing radiation at 0.1 mM ChEMBL. 7241517
Enhancement ratio (functional) = 2.1 Radiosensitizing effectivity evaluated as its ability to sensitize hypoxic Chinese hamster cells (V-79) towards ionizing radiation at 0.5 mM ChEMBL. 7241517

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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