Detailed information for compound 901123

Basic information

Technical information
  • TDR Targets ID: 901123
  • Name: 2-(3-iodophenyl)-2,3-dihydro-1,3-benzoxazin-4 -one
  • MW: 351.139 | Formula: C14H10INO2
  • H donors: 1 H acceptors: 1 LogP: 3.22 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1cccc(c1)C1NC(=O)c2c(O1)cccc2
  • InChi: 1S/C14H10INO2/c15-10-5-3-4-9(8-10)14-16-13(17)11-6-1-2-7-12(11)18-14/h1-8,14H,(H,16,17)
  • InChiKey: IORHNOMBKHMICD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-Iodo-phenyl)-2,3-dihydro-benzo[e][1,3]oxazin-4-one
  • BAS 00108113
  • BIM-0016635.P001
  • Oprea1_025385
  • STOCK1S-13789
  • CBMicro_016638
  • Oprea1_779708

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
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0489 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0074 0.2548 1
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A 0.0223 0.8368 1
Giardia lamblia Myb 1-like protein 0.001 0.0043 0.0313
Schistosoma mansoni hypothetical protein 0.0189 0.7059 0.8436
Schistosoma mansoni ap endonuclease 0.0021 0.0489 0.0584
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.097 0.1375
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0489 0.0591
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.1373 0.5312
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.097 0.116
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.8746 1
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.1373 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0695 0.0794
Echinococcus multilocularis geminin 0.0189 0.7059 1
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0695 0.0794
Loa Loa (eye worm) CYP4Cod1 0.0018 0.0359 0.0411
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0489 0.0162
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.1527 0.1492
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.1527 0.1492
Schistosoma mansoni ap endonuclease 0.0021 0.0489 0.0584
Onchocerca volvulus 0.0026 0.0695 0.0695
Onchocerca volvulus 0.0026 0.0695 0.0695
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0359 0.0411
Echinococcus multilocularis peroxidasin 0.0026 0.0695 0.0984
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0695 0.0794
Brugia malayi Pre-SET motif family protein 0.0232 0.8746 1
Schistosoma mansoni hypothetical protein 0.0189 0.7059 0.8436
Loa Loa (eye worm) hypothetical protein 0.0008 0.000000054537 0.000000062357
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0074 0.2548 0.2913
Echinococcus granulosus geminin 0.0189 0.7059 1
Onchocerca volvulus 0.0033 0.097 0.097
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0489 0.0559
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0489 0.0591
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.097 0.116
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0489 0.0449
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0058
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0695 0.0794
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0074 0.2548 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0157 0.5813 0.8234
Brugia malayi hypothetical protein 0.0026 0.0695 0.0794
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Echinococcus granulosus neurogenic locus notch protein 0.0008 0.000000054537 0.000000077256
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0695 0.0794
Brugia malayi Blistered cuticle protein 3 0.0026 0.0695 0.0794
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0074 0.2548 0.3045
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.2548 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.097 0.1375
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.1527 0.2164
Onchocerca volvulus Neurogenic locus notch homolog 0.0008 0.000000054537 0.000000054537
Echinococcus granulosus peroxidasin 0.0026 0.0695 0.0984
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Loa Loa (eye worm) cytochrome P450 family protein 0.0018 0.0359 0.0411
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0695 0.0695
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.001 0.0043 0.0002
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0162 0.599 0.7159
Brugia malayi EGF-like domain containing protein 0.0008 0.000000054537 0.000000062357
Brugia malayi Pre-SET motif family protein 0.0033 0.097 0.111
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0923 0.1307
Onchocerca volvulus Peroxidase homolog 0.0026 0.0695 0.0695
Brugia malayi Cytochrome P450 family protein 0.0018 0.0359 0.0411
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0489 0.1785
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0695 0.0794
Trichomonas vaginalis set domain proteins, putative 0.0264 1 1
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.001 0.0043 0.0281
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0074 0.2548 0.2913
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0695 0.0794
Schistosoma mansoni ATP synthase F0 subunit 6 0.0223 0.8368 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.1527 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Onchocerca volvulus 0.0026 0.0695 0.0695
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0489 0.0591
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.2548 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.001 0.0043 0.0002
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.097 0.1375
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.0223 0.8368 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.1527 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0489 0.356
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.0223 0.8368 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.097 0.6353
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0489 0.0449
Brugia malayi acetyltransferase, GNAT family protein 0.0162 0.599 0.6849
Brugia malayi Peroxidasin 0.0026 0.0695 0.0794
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0074 0.2548 0.3609
Echinococcus multilocularis transcription factor Dp 1 0.0043 0.1335 0.1891
Onchocerca volvulus Peroxidase homolog 0.0026 0.0695 0.0695
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.097 0.116
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0489 0.0692
Loa Loa (eye worm) hypothetical protein 0.0033 0.097 0.111
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Trichomonas vaginalis MYB, putative 0.001 0.0043 0.0002
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0074 0.2548 0.3609
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.2548 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0489 0.0559
Schistosoma mansoni peroxidasin 0.0026 0.0695 0.083
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0008 0.000000054537 0.000000054537
Onchocerca volvulus Dual oxidase homolog 0.0026 0.0695 0.0695
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.097 0.116
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0695 0.0794
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0162 0.599 0.8486
Mycobacterium leprae PROBABLE ATP SYNTHASE A CHAIN ATPB (PROTEIN 6) 0.0223 0.8368 0.5
Loa Loa (eye worm) acetyltransferase 0.0162 0.599 0.6849
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0695 0.0695
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0489 0.0692
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Brugia malayi Cytochrome P450 family protein 0.0018 0.0359 0.0411
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Brugia malayi notch-like transmembrane receptor 0.0008 0.000000054537 0.000000062357
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0695 0.0794
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Loa Loa (eye worm) hypothetical protein 0.0026 0.0695 0.0794
Schistosoma mansoni peroxidasin 0.0026 0.0695 0.083
Echinococcus granulosus transcription factor Dp 1 0.0043 0.1335 0.1891
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.1373 1
Plasmodium vivax SET domain protein, putative 0.0033 0.097 0.4637
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0489 0.0591
Toxoplasma gondii exonuclease III APE 0.0021 0.0489 0.3199
Echinococcus multilocularis neurogenic locus notch protein 0.0008 0.000000054537 0.000000077256
Onchocerca volvulus Chorion peroxidase homolog 0.0026 0.0695 0.0695
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0695 0.0794
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.1527 1

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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