Detailed information for compound 804872

Basic information

Technical information
  • TDR Targets ID: 804872
  • Name: N'-(4-iodophenyl)-N-methyl-[1,2,5]oxadiazolo[ 3,4-e]pyrazine-5,6-diamine
  • MW: 368.133 | Formula: C11H9IN6O
  • H donors: 2 H acceptors: 4 LogP: 2.55 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nc2nonc2nc1Nc1ccc(cc1)I
  • InChi: 1S/C11H9IN6O/c1-13-8-9(14-7-4-2-6(12)3-5-7)16-11-10(15-8)17-19-18-11/h2-5H,1H3,(H,13,15,17)(H,14,16,18)
  • InChiKey: DVZRILFOGBPLQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4-iodophenyl)-(5-methylaminofurazano[3,4-e]pyrazin-6-yl)amine
  • N-(4-Iodo-phenyl)-N'-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
  • A1463/0064478
  • ZINC00714196
  • AG-205/36957071
  • BAS 00548316
  • Oprea1_173011
  • Oprea1_470110

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
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.2457 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0404 0.3131
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.5712 0.8127
Loa Loa (eye worm) hypothetical protein 0.0068 0.2625 0.2811
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2457 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0884 0.5731
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0404 0.0408
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0555 0.0356
Schistosoma mansoni hypothetical protein 0.002 0.0473 0.0235
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0404 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.2306 0.2995
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.1285 1
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.0234 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0404 0.0725
Leishmania major cytochrome p450-like protein 0.0015 0.0275 0.0142
Loa Loa (eye worm) hypothetical protein 0.0037 0.1235 0.1148
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0404 0.0128
Echinococcus granulosus geminin 0.0166 0.6955 1
Brugia malayi Bromodomain containing protein 0.0076 0.2963 0.3216
Echinococcus multilocularis geminin 0.0166 0.6955 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0009 0.0002 0.0002
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.1285 0.5231
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.1541 1
Schistosoma mansoni ATP synthase F0 subunit 6 0.0234 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.1541 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0884 0.0657
Echinococcus granulosus zinc finger protein 0.0022 0.0582 0.0396
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.1617 0.1956
Schistosoma mansoni hypothetical protein 0.0166 0.6955 0.6879
Schistosoma mansoni ap endonuclease 0.0018 0.0404 0.0164
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2457 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.2306 0.2995
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0275 0.0142
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0836 0.078
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.2457 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8637 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0009 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0166 0.6955 0.6879
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.1617 0.1956
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.1541 0.1842
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0884 0.0657
Schistosoma mansoni ap endonuclease 0.0018 0.0404 0.0164
Loa Loa (eye worm) acetyltransferase 0.0144 0.5991 0.6836
Schistosoma mansoni zinc finger protein 0.0022 0.0582 0.0347
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0404 0.0128
Brugia malayi PHD-finger family protein 0.0028 0.0811 0.0641
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.113 0.1223
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1617 0.1408
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0404 0.0408
Loa Loa (eye worm) hypothetical protein 0.0046 0.1617 0.1605
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0404 0.1643
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0319 0.0077
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.2457 0.3221
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1285 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.2457 0.3221
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.5991 0.8547
Toxoplasma gondii exonuclease III APE 0.0018 0.0404 0.261
Loa Loa (eye worm) hypothetical protein 0.0043 0.1491 0.1455
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0275 0.0142
Plasmodium vivax SET domain protein, putative 0.0029 0.0884 0.4223
Loa Loa (eye worm) hypothetical protein 0.0045 0.1573 0.1553
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.2457 0.2609
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.2457 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.1541 0.1559
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0499 0.0269
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0555 0.0319
Onchocerca volvulus 0.0232 0.9887 1
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.5991 0.6836
Brugia malayi Bromodomain containing protein 0.004 0.1386 0.1329
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0404 0.0725
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0404 0.0725
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0404 0.0133
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0275 0.0142
Brugia malayi Pre-SET motif family protein 0.0203 0.8637 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.113 0.1223
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0404 0.0154
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1617 0.1408
Schistosoma mansoni bromodomain containing protein 0.0065 0.246 0.2272
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.0234 1 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0884 0.0729
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.2457 0.2268
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0404 0.0154
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0404 0.0725
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.1541 0.1559
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A 0.0234 1 1
Trichomonas vaginalis MYB, putative 0.0009 0.0002 0.0002
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.2457 0.2609
Trichomonas vaginalis set domain proteins, putative 0.0232 0.9887 1
Echinococcus granulosus transcription factor Dp 1 0.0037 0.1248 0.14
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0473 0.0237
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0884 0.0852
Schistosoma mansoni methyl-cpg binding protein mbd 0.0016 0.0319 0.0077
Echinococcus multilocularis zinc finger protein 0.0022 0.0582 0.0396
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.1248 0.14
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.1541 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.5991 0.5891
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0555 0.0356

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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