Detailed information for compound 1096613

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.197 | Formula: C15H14IN3
  • H donors: 0 H acceptors: 1 LogP: 4.2 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [123I]c1ccc2n(c1)cc(n2)c1ccc(cc1)N(C)C
  • InChi: 1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3/i16-4
  • InChiKey: GUJHUHNUHJMRII-KIWWSDKQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi hypothetical protein 0.0016 0.0014 0.0014
Entamoeba histolytica Thymidylate kinase, putative 0.0154 0.3913 1
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0154 0.3913 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0617 0.1576
Plasmodium falciparum thymidylate kinase 0.0154 0.3913 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0436 0.0463
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0436 0.1099
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0154 0.3913 0.5
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0061 0.1265 0.2737
Leishmania major thymidylate kinase-like protein 0.0154 0.3913 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0436 0.1114
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0061 0.1265 0.2737
Echinococcus granulosus muscleblind protein 0.0156 0.3967 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.3653 0.9336
Brugia malayi Pre-SET motif family protein 0.0031 0.0436 0.0436
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0759 0.1351
Trypanosoma cruzi thymidylate kinase, putative 0.0154 0.3913 1
Brugia malayi thymidylate kinase 0.0154 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0291 0.7786 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0617 0.1555
Schistosoma mansoni hypothetical protein 0.0038 0.0617 0.1576
Loa Loa (eye worm) hypothetical protein 0.005 0.0964 0.1238
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0436 0.1114
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0905 0.2313
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0759 0.1351
Leishmania major hypothetical protein, conserved 0.0061 0.1265 0.2737
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0964 0.0964
Mycobacterium ulcerans thymidylate kinase 0.0154 0.3913 0.5
Chlamydia trachomatis thymidylate kinase 0.0154 0.3913 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0436 0.056
Echinococcus granulosus thymidylate kinase 0.0154 0.3913 0.9864
Schistosoma mansoni thymidylate kinase 0.0154 0.3913 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0905 0.2313
Onchocerca volvulus Putative thymidylate kinase 0.0154 0.3913 0.5686
Loa Loa (eye worm) hypothetical protein 0.0156 0.3967 0.5095
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0964 0.0964
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0436 0.1114
Echinococcus multilocularis thymidylate kinase 0.0154 0.3913 0.9864
Loa Loa (eye worm) hypothetical protein 0.0156 0.3967 0.5095
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0964 0.1238
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0905 0.1163
Brugia malayi Muscleblind-like protein 0.0156 0.3967 0.3967
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0518 0.0518
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0436 0.1114
Brugia malayi hypothetical protein 0.0025 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0156 0.3976 0.5107
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0154 0.3913 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0436 0.0463
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0905 0.2282
Trichomonas vaginalis thymidylate kinase, putative 0.0154 0.3913 0.5445
Trypanosoma brucei thymidylate kinase, putative 0.0154 0.3913 1
Echinococcus multilocularis muscleblind protein 0.0156 0.3967 1
Trichomonas vaginalis thymidylate kinase, putative 0.0154 0.3913 0.5445
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.5702 0.7324
Schistosoma mansoni thymidylate kinase 0.0154 0.3913 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0905 0.2313
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0135 0.3363 0.8594
Giardia lamblia CDC8 0.0154 0.3913 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.3653 0.9209
Loa Loa (eye worm) thymidylate kinase 0.0154 0.3913 0.5026
Loa Loa (eye worm) acetyltransferase 0.0145 0.3653 0.4692
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0436 0.1099
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0659 0.0128
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.3653 0.3653
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0759 0.1914
Brugia malayi Pre-SET motif family protein 0.0217 0.5702 0.5702
Echinococcus multilocularis muscleblind protein 1 0.0156 0.3967 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0905 0.0905
Schistosoma mansoni hypothetical protein 0.0154 0.3913 1
Onchocerca volvulus 0.0247 0.6552 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0436 0.1099
Plasmodium vivax thymidylate kinase, putative 0.0154 0.3913 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0617 0.1555
Loa Loa (eye worm) hypothetical protein 0.0078 0.1762 0.2263
Loa Loa (eye worm) hypothetical protein 0.0025 0.0267 0.0343
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0905 0.2282
Toxoplasma gondii thymidylate kinase 0.0154 0.3913 1
Trypanosoma brucei thymidylate kinase, putative 0.0154 0.3913 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0759 0.1351
Trypanosoma cruzi thymidylate kinase, putative 0.0154 0.3913 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0403 0.1017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0905 0.2282
Trichomonas vaginalis set domain proteins, putative 0.0247 0.6552 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0659 0.1076
Brugia malayi hypothetical protein 0.0038 0.0617 0.0617
Loa Loa (eye worm) hypothetical protein 0.0034 0.0518 0.0665
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0905 0.2282
Treponema pallidum thymidylate kinase (tmk) 0.0154 0.3913 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.3538 0.8919
Schistosoma mansoni hypothetical protein 0.0034 0.0518 0.1323

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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