Detailed information for compound 149236

Basic information

Technical information
  • TDR Targets ID: 149236
  • Name: (4-nitrophenyl) di(propan-2-yloxy)phosphorylf ormate
  • MW: 331.258 | Formula: C13H18NO7P
  • H donors: 0 H acceptors: 4 LogP: 2.64 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OP(=O)(C(=O)Oc1ccc(cc1)[N+](=O)[O-])OC(C)C)C
  • InChi: 1S/C13H18NO7P/c1-9(2)20-22(18,21-10(3)4)13(15)19-12-7-5-11(6-8-12)14(16)17/h5-10H,1-4H3
  • InChiKey: DQACQTNYLKASSY-UHFFFAOYSA-N  

Network

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Synonyms

  • (4-nitrophenyl) diisopropoxyphosphorylformate
  • diisopropoxyphosphorylformic acid (4-nitrophenyl) ester
  • (4-nitrophenyl) di(propan-2-yloxy)phosphorylmethanoate
  • 83877-27-4
  • Phosphinecarboxylic acid, bis(1-methylethoxy)-, 4-nitrophenyl ester, oxide
  • AIDS-186450
  • AIDS186450

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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0009 0.0038 0.0171
Loa Loa (eye worm) carbonic anhydrase 3 0.0092 0.2198 0.6815
Loa Loa (eye worm) glutaminase 0.0131 0.3225 1
Echinococcus multilocularis carbonic anhydrase 0.0021 0.0348 0.035
Mycobacterium ulcerans 3-dehydroquinate synthase 0.0152 0.3772 0.3748
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0009 0.0038 1
Schistosoma mansoni ap endonuclease 0.0009 0.0038 0.01
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0092 0.2198 0.5828
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0009 0.0038 0.0171
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0009 0.0038 0.0171
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0009 0.0038 0.0038
Schistosoma mansoni glutaminase 0.0131 0.3225 0.8551
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0092 0.2198 0.6815
Schistosoma mansoni ap endonuclease 0.0009 0.0038 0.01
Echinococcus granulosus carbonic anhydrase 0.0021 0.0348 0.1585
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.039 1 1
Schistosoma mansoni hypothetical protein 0.0021 0.0348 0.0924
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0009 0.0038 0.0171
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0021 0.0348 0.108
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0021 0.0348 0.108
Loa Loa (eye worm) glutaminase 2 0.0131 0.3225 1
Echinococcus multilocularis carbonic anhydrase 0.0021 0.0348 0.035
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0021 0.0348 0.108
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0009 0.0038 0.1081
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0092 0.2198 0.6815
Brugia malayi glutaminase DH11.1 0.0131 0.3225 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0009 0.0038 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0021 0.0348 0.108
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0152 0.3772 1
Echinococcus multilocularis carbonic anhydrase II 0.0092 0.2198 0.2208
Schistosoma mansoni carbonic anhydrase-related 0.0021 0.0348 0.0924
Mycobacterium ulcerans glutaminase 0.0131 0.3225 0.32
Schistosoma mansoni 3-dehydroquinate synthase 0.0152 0.3772 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0009 0.0038 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0092 0.2198 1
Schistosoma mansoni carbonic anhydrase-related 0.0021 0.0348 0.0924
Trichomonas vaginalis glutaminase, putative 0.0131 0.3225 1
Echinococcus multilocularis carbonic anhydrase 0.0021 0.0348 0.035
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0238 0.603 0.6015
Loa Loa (eye worm) hypothetical protein 0.0021 0.0348 0.108
Loa Loa (eye worm) hypothetical protein 0.0021 0.0348 0.108
Schistosoma mansoni carbonic anhydrase-related 0.0021 0.0348 0.0924
Leishmania major carbonic anhydrase-like protein 0.0092 0.2198 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0009 0.0038 0.01
Echinococcus granulosus carbonic anhydrase 0.0021 0.0348 0.1585
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.039 1 1
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0238 0.603 0.3627
Plasmodium falciparum carbonic anhydrase 0.0021 0.0348 1
Schistosoma mansoni carbonic anhydrase 0.0021 0.0348 0.0924
Trypanosoma brucei carbonic anhydrase-like protein 0.0092 0.2198 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0238 0.603 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0092 0.2198 1
Toxoplasma gondii hypothetical protein 0.0021 0.0348 0.0348
Echinococcus granulosus carbonic anhydrase 0.0021 0.0348 0.1585
Toxoplasma gondii exonuclease III APE 0.0009 0.0038 0.0038
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0021 0.0348 0.108
Brugia malayi exodeoxyribonuclease III family protein 0.0009 0.0038 0.0117
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0152 0.3772 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0092 0.2198 0.5828
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0009 0.0038 0.0117
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0009 0.0038 0.0171
Loa Loa (eye worm) hypothetical protein 0.0021 0.0348 0.108
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.039 1 1
Echinococcus granulosus carbonic anhydrase II 0.0092 0.2198 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0389 0.9956 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0238 0.603 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0092 0.2198 0.6815
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0021 0.0348 0.108

Activities

Activity type Activity value Assay description Source Reference
Effect (functional) 0 Evaluated for antiviral activity against cutaneous HSV-1 C42 infections in guinea pig; Not active ChEMBL. 6298425
IC50 (binding) > 500 uM Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay ChEMBL. 6298425
IC50 (binding) > 500 uM Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay ChEMBL. 6298425

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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