Detailed information for compound 146815

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.342 | Formula: C15H11N5O7S
  • H donors: 3 H acceptors: 7 LogP: 1.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NS(=O)(=O)c1ccccc1)Nn1c(=O)c(=O)[nH]c2c1ccc(c2)[N+](=O)[O-]
  • InChi: 1S/C15H11N5O7S/c21-13-14(22)19(12-7-6-9(20(24)25)8-11(12)16-13)17-15(23)18-28(26,27)10-4-2-1-3-5-10/h1-8H,(H,16,21)(H2,17,18,23)
  • InChiKey: UGKRMXYGQVGQNM-UHFFFAOYSA-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
Chlamydia trachomatis DNA topoisomerase I 0.0408 0.3666 0.5
Schistosoma mansoni hypothetical protein 0.0408 0.3666 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0145 0.1247 0.3402
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0017 0.0017
Loa Loa (eye worm) TK protein kinase 0.0034 0.0226 0.0573
Echinococcus multilocularis zinc finger protein Ran binding 0.0145 0.1247 0.1247
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0408 0.3666 0.3666
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0874 0.7959 0.7959
Loa Loa (eye worm) hypothetical protein 0.0145 0.1247 0.3372
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0408 0.3666 0.5
Echinococcus multilocularis ring and YY1 binding protein 0.0145 0.1247 0.1247
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0017 0.0046
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0303 0.0303
Onchocerca volvulus 0.0145 0.1247 0.3372
Schistosoma mansoni TRABID protein (C64 family) 0.0145 0.1247 0.3402
Loa Loa (eye worm) hypothetical protein 0.0156 0.1346 0.3643
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0017 0.0046
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0156 0.1346 0.3672
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0042 0.0303 0.0303
Echinococcus multilocularis SWI:SNF matrix associated 0.0408 0.3666 0.3666
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0017 0.0017
Echinococcus granulosus zinc finger protein Ran binding 0.0145 0.1247 0.1247
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0042 0.0303 0.0303
Brugia malayi steroid hormone receptor 0.0011 0.0017 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0017 0.0046
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0145 0.1247 0.1247
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0145 0.1247 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0145 0.1247 0.3402
Loa Loa (eye worm) hypothetical protein 0.0145 0.1247 0.3372
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0408 0.3666 1
Brugia malayi brahma associated protein 60 kDa 0.0408 0.3666 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0042 0.0303 0.0303
Schistosoma mansoni cellular tumor antigen P53 0.016 0.1388 0.3787
Trypanosoma cruzi WLM domain containing protein, putative 0.0145 0.1247 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0017 0.0017
Echinococcus multilocularis SWI:SNF matrix associated 0.0408 0.3666 0.3666
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0037 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0145 0.1247 0.3372
Echinococcus granulosus tyrosine protein kinase HCK 0.0034 0.0226 0.0226
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0017 0.0046
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0017 0.0046
Echinococcus multilocularis tyrosine protein kinase HCK 0.0034 0.0226 0.0226
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0017 0.0017
Echinococcus multilocularis tumor protein p63 0.1095 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0017 0.0046
Schistosoma mansoni hypothetical protein 0.0408 0.3666 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0038 0.0265 0.0265
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0145 0.1247 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0042 0.0303 0.0303
Trypanosoma cruzi WLM domain containing protein, putative 0.0145 0.1247 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.0042 0.0303 0.0303
Leishmania major hypothetical protein, conserved 0.0145 0.1247 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0017 0.0046
Schistosoma mansoni hypothetical protein 0.0156 0.1346 0.3672
Brugia malayi protein-tyrosine kinase 0.0038 0.0265 0.0723
Echinococcus granulosus tyrosine kinase 0.0038 0.0265 0.0265
Loa Loa (eye worm) brahma associated protein 0.0408 0.3666 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0017 0.0046
Loa Loa (eye worm) hypothetical protein 0.0145 0.1247 0.3372
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0303 0.0303
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0303 0.0303
Leishmania major hypothetical protein, conserved 0.0145 0.1247 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0017 0.0017
Echinococcus granulosus SWI:SNF matrix associated 0.0408 0.3666 0.3666
Onchocerca volvulus 0.0145 0.1247 0.3372
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0156 0.1346 0.3672
Trypanosoma cruzi hypothetical protein, conserved 0.0145 0.1247 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0017 0.0046
Schistosoma mansoni hypothetical protein 0.0156 0.1346 0.3672
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0408 0.3666 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0042 0.0303 0.0303
Schistosoma mansoni tyrosine kinase 0.0042 0.0303 0.0827
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0408 0.3666 1
Brugia malayi YY1-associated factor 2 0.0145 0.1247 0.3402
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0017 0.0017
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0017 0.0046
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0017 0.0046
Loa Loa (eye worm) apoptosis regulator protein 0.0156 0.1346 0.3643
Loa Loa (eye worm) TK protein kinase 0.0038 0.0265 0.068
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0017 0.0046
Trypanosoma brucei hypothetical protein, conserved 0.0145 0.1247 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0017 0.0046
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0145 0.1247 0.3402
Loa Loa (eye worm) SRC-1 0.0042 0.0303 0.0784
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0017 0.0046
Echinococcus granulosus tyrosine protein kinase Fyn 0.0042 0.0303 0.0303
Schistosoma mansoni brg-1 associated factor 0.0408 0.3666 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0042 0.0303 0.0303
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0408 0.3666 0.3666
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0874 0.7959 0.7959
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0038 0.0265 0.0265
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0145 0.1247 0.5
Brugia malayi nuclear hormone receptor 0.0011 0.0017 0.0046
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0145 0.1247 0.1247
Echinococcus granulosus ring and YY1 binding protein 0.0145 0.1247 0.1247
Echinococcus multilocularis tyrosine protein kinase Blk 0.0038 0.0265 0.0265
Schistosoma mansoni fusion 0.0145 0.1247 0.3402
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0145 0.1247 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0017 0.0046
Plasmodium vivax hypothetical protein, conserved 0.0408 0.3666 0.5
Onchocerca volvulus 0.016 0.1388 0.3759
Entamoeba histolytica protein kinase, putative 0.0034 0.0226 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0303 0.0303
Schistosoma mansoni tyrosine kinase 0.0042 0.0303 0.0827
Schistosoma mansoni hypothetical protein 0.0145 0.1247 0.3402
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0017 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0017 0.0046
Trypanosoma cruzi hypothetical protein, conserved 0.0145 0.1247 0.5
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0017 0.0046
Trichomonas vaginalis conserved hypothetical protein 0.0408 0.3666 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0017 0.0046
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0145 0.1247 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0145 0.1247 0.3402
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0017 0.0046
Echinococcus multilocularis SWI:SNF matrix associated 0.0408 0.3666 0.3666
Schistosoma mansoni hypothetical protein 0.0408 0.3666 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0017 0.0046
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0017 0.0046
Brugia malayi nuclear receptor NHR-88 0.0011 0.0017 0.0046
Brugia malayi ecdysteroid receptor 0.0011 0.0017 0.0046
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0017 0.0046
Chlamydia trachomatis SWIB complex protein 0.0408 0.3666 0.5
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0017 0.0017
Onchocerca volvulus 0.0145 0.1247 0.3372
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0017 0.0046
Brugia malayi SWIB/MDM2 domain containing protein 0.0408 0.3666 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0265 0.0265
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0145 0.1247 0.5
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0145 0.1247 0.1247
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0017 0.0017
Echinococcus granulosus tyrosine protein kinase Src42A 0.0042 0.0303 0.0303
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0156 0.1346 0.1346
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0017 0.0017
Echinococcus granulosus tyrosine protein kinase Blk 0.0038 0.0265 0.0265
Brugia malayi brahma associated protein 60 kDa 0.0408 0.3666 1
Leishmania major hypothetical protein, conserved 0.0145 0.1247 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0042 0.0303 0.0303
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0408 0.3666 1
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0017 0.0017
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0042 0.0303 0.0303
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0408 0.3666 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0017 0.0017
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0017 0.0046
Leishmania major hypothetical protein, conserved 0.0145 0.1247 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0017 0.0017
Schistosoma mansoni zinc finger protein 0.0145 0.1247 0.3402
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0017 0.0017
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0156 0.1346 0.1346
Onchocerca volvulus 0.0408 0.3666 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0017 0.0017
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0156 0.1346 0.3672
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0017 0.0017
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0145 0.1247 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.1388 0.3759
Trypanosoma brucei hypothetical protein, conserved 0.0145 0.1247 0.5
Onchocerca volvulus 0.0145 0.1247 0.3372
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0017 0.0046
Brugia malayi SRC-1 0.0042 0.0303 0.0827
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0017 0.0046
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0042 0.0303 0.0303
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0042 0.0303 0.0303
Schistosoma mansoni RNA binding protein 0.0145 0.1247 0.3402
Leishmania major hypothetical protein, conserved 0.0145 0.1247 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.1247 0.3372
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0017 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0145 0.1247 0.5
Echinococcus granulosus Zinc finger RanBP2 type 0.0145 0.1247 0.1247
Echinococcus granulosus tyrosine protein kinase Src42A 0.0037 0.0254 0.0254
Schistosoma mansoni coup transcription factor 0.0011 0.0017 0.0046
Schistosoma mansoni apoptosis regulator bax 0.0156 0.1346 0.3672
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0145 0.1247 0.3372
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0017 0.0046

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 57.2 % Inhibitory activity against Dipeptidyl-peptidase IV in rat ChEMBL. 15109673
Inhibition (binding) = 57.2 % Inhibitory activity against Dipeptidyl-peptidase IV in rat ChEMBL. 15109673

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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