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

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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