Detailed information for compound 565189

Basic information

Technical information
  • TDR Targets ID: 565189
  • Name: (2,4-dinitrophenyl)methanol
  • MW: 198.133 | Formula: C7H6N2O5
  • H donors: 1 H acceptors: 5 LogP: 0.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
  • InChi: 1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)3-7(5)9(13)14/h1-3,10H,4H2
  • InChiKey: ZKKOBDGQUYKWFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-dinitrobenzyl alcohol
  • 4836-66-2
  • 4-06-00-02631 (Beilstein Handbook Reference)
  • BENZYL ALCOHOL, 2,4-DINITRO-
  • BRN 3056138
  • Benzenemethanol, 2,4-dinitro-
  • CCRIS 1765

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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1701 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0733 0.0693
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1065 0.1026
Onchocerca volvulus 0.0035 0.0733 0.0297
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.2998 0.2967
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.1834 0.1834
Schistosoma mansoni hypothetical protein 0.0047 0.115 0.115
Brugia malayi beta-lactamase family protein 0.0035 0.0733 0.0917
Schistosoma mansoni hypothetical protein 0.0015 0.0043 0.0043
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.1701 0.1665
Brugia malayi Importin beta-1 subunit 0.0028 0.0489 0.0592
Schistosoma mansoni hypothetical protein 0.0033 0.0668 0.0668
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1665 0.1629
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0733 0.0591
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.7348 1
Toxoplasma gondii melibiase subfamily protein 0.01 0.2998 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.1665 0.1629
Schistosoma mansoni hypothetical protein 0.0299 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.1701 0.1464
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0733 0.0733
Loa Loa (eye worm) hypothetical protein 0.0066 0.1834 0.1799
Loa Loa (eye worm) hypothetical protein 0.0035 0.0733 0.0693
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1701 0.1701
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1701 1
Leishmania major hypothetical protein, conserved 0.0035 0.0733 0.3077
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0523 0.0523
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0733 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1665 0.1665
Loa Loa (eye worm) hypothetical protein 0.0035 0.0733 0.0693
Brugia malayi Melibiase family protein 0.0066 0.1834 0.238
Brugia malayi beta-lactamase family protein 0.0035 0.0733 0.0917
Plasmodium falciparum importin beta, putative 0.0028 0.0489 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.1701 0.1665
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.1701 0.5675
Loa Loa (eye worm) hypothetical protein 0.0035 0.0733 0.0693
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.115 0.1471
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1065 0.1026
Loa Loa (eye worm) hypothetical protein 0.0035 0.0733 0.0693
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0733 0.0591
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0733 1
Schistosoma mansoni hypothetical protein 0.0165 0.5283 0.5283
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0489 0.0447
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.7567 0.7557
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1065 0.1026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1065 0.1065
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1665 0.1665
Schistosoma mansoni hypothetical protein 0.0165 0.5283 0.5283
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0066 0.1834 0.2104
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0733 0.0693
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0733 1
Onchocerca volvulus 0.0035 0.0733 0.0297
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.2998 0.2967
Loa Loa (eye worm) hypothetical protein 0.0029 0.0523 0.0482
Loa Loa (eye worm) hypothetical protein 0.023 0.7567 0.7557
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1665 0.1665
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.1701 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0733 0.0591
Brugia malayi beta-lactamase 0.0035 0.0733 0.0917
Brugia malayi Pre-SET motif family protein 0.0029 0.0523 0.0638
Schistosoma mansoni hypothetical protein 0.0015 0.0043 0.0043
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1665 0.1629
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1665 0.1629
Echinococcus multilocularis geminin 0.0165 0.5283 0.5262
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1065 0.1026
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0733 0.5
Brugia malayi TAR-binding protein 0.0062 0.1665 0.2156
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0489 0.1631
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1065 0.1065
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.2998 0.2967
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2998 0.2998
Onchocerca volvulus 0.0035 0.0733 0.0297
Entamoeba histolytica hypothetical protein 0.0023 0.0303 0.5
Echinococcus granulosus survival motor neuron protein 1 0.023 0.7567 0.7557
Schistosoma mansoni hypothetical protein 0.0015 0.0043 0.0043
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0523 0.0482
Mycobacterium leprae Probable lipase LipE 0.0035 0.0733 0.5
Trichomonas vaginalis esterase, putative 0.0035 0.0733 0.0591
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0668 0.0829
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0733 0.0733
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0523 0.0482
Brugia malayi Pre-SET motif family protein 0.0202 0.6601 0.8716
Onchocerca volvulus 0.0047 0.115 0.0888
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1065 0.1358
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1665 0.1665
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0523 0.0523
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1701 0.1701
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.6601 0.6586
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2998 0.2998
Onchocerca volvulus 0.023 0.7581 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0733 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0489 0.0447
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1065 0.1065
Schistosoma mansoni importin beta-1 0.0028 0.0489 0.0489
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1205 0.1544
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0523 0.0523
Schistosoma mansoni hypothetical protein 0.0015 0.0043 0.0043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1205 0.1167
Loa Loa (eye worm) beta-lactamase 0.0035 0.0733 0.0693
Loa Loa (eye worm) RNA binding protein 0.0062 0.1665 0.1629
Loa Loa (eye worm) hypothetical protein 0.0035 0.0733 0.0693
Echinococcus granulosus geminin 0.0165 0.5283 0.5262
Brugia malayi RNA, U transporter 1 0.008 0.2301 0.3001
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.1834 0.1834
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1665 0.1665
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0523 0.1746
Loa Loa (eye worm) hypothetical protein 0.0033 0.0668 0.0627
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1701 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0733 0.2446
Loa Loa (eye worm) hypothetical protein 0.0048 0.1205 0.1167
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2998 0.2998
Loa Loa (eye worm) hypothetical protein 0.0035 0.0733 0.0693
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0523 0.0482
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1665 0.2156
Trichomonas vaginalis set domain proteins, putative 0.023 0.7581 1
Brugia malayi RNA binding protein 0.0062 0.1665 0.2156
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0733 0.0591
Brugia malayi hypothetical protein 0.023 0.7567 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0733 0.0591
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0733 0.0693
Echinococcus multilocularis snurportin 1 0.0299 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1205 0.1544
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0733 0.0917
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2998 0.2998
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0523 0.0523
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1065 0.1026
Loa Loa (eye worm) hypothetical protein 0.0028 0.0489 0.0447
Schistosoma mansoni survival motor neuron protein 0.0047 0.115 0.115
Plasmodium vivax SET domain protein, putative 0.0029 0.0523 0.1418
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0486 0.0444

Activities

No activities found for this compound.

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

No literature references available for this target.

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