Detailed information for compound 1576772

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.441 | Formula: C15H14N6O2S2
  • H donors: 3 H acceptors: 5 LogP: 1.35 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=S)Nc1ccc(cc1)c1nnc(o1)Sc1ncccn1
  • InChi: 1S/C15H14N6O2S2/c22-9-8-16-13(24)19-11-4-2-10(3-5-11)12-20-21-15(23-12)25-14-17-6-1-7-18-14/h1-7,22H,8-9H2,(H2,16,19,24)
  • InChiKey: IVOJBOOSTIGJKL-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
Brugia malayi TAR-binding protein 0.0065 0.3602 0.3602
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3602 0.3602
Loa Loa (eye worm) carboxylesterase 0.0025 0.0459 0.0459
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0453 0.5
Brugia malayi Cytochrome P450 family protein 0.0025 0.0481 0.0481
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2362 0.2362
Schistosoma mansoni hypothetical protein 0.0033 0.1146 0.1146
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3602 0.3602
Brugia malayi Carboxylesterase family protein 0.0025 0.0459 0.0459
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3602 0.3602
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.5196 0.5196
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0453 0.5
Brugia malayi hypothetical protein 0.0025 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0025 0.0459 0.0459
Schistosoma mansoni gliotactin 0.0025 0.0459 0.0459
Schistosoma mansoni acetylcholinesterase 0.0025 0.0459 0.0459
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0481 0.0481
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3602 0.3602
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2362 0.2362
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0025 0.0459 0.0459
Leishmania major hypothetical protein, conserved 0.0025 0.0453 0.2556
Loa Loa (eye worm) hypothetical protein 0.0033 0.1146 0.1146
Loa Loa (eye worm) acetylcholinesterase 1 0.0146 1 1
Schistosoma mansoni hypothetical protein 0.0069 0.3945 0.3945
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0453 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0025 0.0459 0.0459
Schistosoma mansoni BC026374 protein (S09 family) 0.0025 0.0459 0.0459
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2362 0.2362
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3602 0.3602
Brugia malayi hypothetical protein 0.0067 0.3762 0.3762
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0453 1
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1146 0.1146
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.5196 0.5196
Loa Loa (eye worm) carboxylesterase 0.0146 1 1
Brugia malayi Carboxylesterase family protein 0.0025 0.0459 0.0459
Loa Loa (eye worm) RNA binding protein 0.0065 0.3602 0.3602
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0025 0.0459 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0453 1
Schistosoma mansoni jun-related protein 0.0069 0.3945 0.3945
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3602 0.3602
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0041 0.1774 0.1774
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0459 0.0459
Mycobacterium tuberculosis Carboxylesterase LipT 0.0025 0.0459 1
Loa Loa (eye worm) hypothetical protein 0.0146 1 1
Echinococcus multilocularis jun protein 0.0085 0.5196 0.5196
Loa Loa (eye worm) hypothetical protein 0.0146 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0453 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0025 0.0459 0.0459
Brugia malayi hypothetical protein 0.0025 0.0453 0.0453
Loa Loa (eye worm) hypothetical protein 0.0025 0.0459 0.0459
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3602 0.3602
Echinococcus granulosus BC026374 protein S09 family 0.0025 0.0459 0.0459
Echinococcus granulosus neuroligin 0.0025 0.0459 0.0459
Echinococcus multilocularis BC026374 protein (S09 family) 0.0025 0.0459 0.0459
Echinococcus granulosus tar DNA binding protein 0.0065 0.3602 0.3602
Echinococcus granulosus acetylcholinesterase 0.0146 1 1
Brugia malayi Carboxylesterase family protein 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0453 0.0453
Echinococcus granulosus para nitrobenzyl esterase 0.0025 0.0459 0.0459
Mycobacterium ulcerans carboxylesterase, LipT 0.0025 0.0459 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3602 0.3602
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0041 0.1774 1
Echinococcus multilocularis carboxylesterase 5A 0.0146 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0025 0.0459 0.0459
Echinococcus granulosus carboxylesterase 5A 0.0146 1 1
Brugia malayi bZIP transcription factor family protein 0.0085 0.5196 0.5196
Brugia malayi Carboxylesterase family protein 0.0025 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0083 0.5013 0.5013
Loa Loa (eye worm) carboxylesterase 0.0025 0.0459 0.0459
Echinococcus multilocularis acetylcholinesterase 0.0146 1 1
Echinococcus granulosus acetylcholinesterase 0.0146 1 1
Onchocerca volvulus 0.0067 0.3762 1
Echinococcus multilocularis neuroligin 0.0025 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0025 0.0459 0.0459
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0459 0.0459
Echinococcus multilocularis para nitrobenzyl esterase 0.0025 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0025 0.0459 0.0459
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0459 0.0459
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0459 0.0459
Echinococcus multilocularis acetylcholinesterase 0.0146 1 1
Echinococcus granulosus sodium channel protein 0.0041 0.1774 0.1774
Trichomonas vaginalis spcc417.12 protein, putative 0.0025 0.0459 1
Echinococcus granulosus jun protein 0.0085 0.5196 0.5196
Brugia malayi RNA binding protein 0.0065 0.3602 0.3602
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0.0459 1
Brugia malayi Carboxylesterase family protein 0.0025 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0049 0.2362 0.2362
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0453 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3602 0.3602
Echinococcus multilocularis sodium channel protein 0.0041 0.1774 0.1774
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0.0459 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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