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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.