Detailed information for compound 1012205

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.526 | Formula: C17H15N5O6S3
  • H donors: 2 H acceptors: 6 LogP: 1.99 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C(=c\1/sc(nn1c1ccc(cc1)S(=O)(=O)N)C(=O)C)/C(=O)Nc1nccs1
  • InChi: 1S/C17H15N5O6S3/c1-9(23)14-21-22(10-3-5-11(6-4-10)31(18,26)27)15(30-14)12(16(25)28-2)13(24)20-17-19-7-8-29-17/h3-8H,1-2H3,(H2,18,26,27)(H,19,20,24)/b15-12+
  • InChiKey: BVKLRQXMBZZTCV-NTCAYCPXSA-N  

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 0.0045 0.0528 0.0482
Loa Loa (eye worm) hypothetical protein 0.0045 0.0528 0.0482
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.8618 0.8679
Echinococcus granulosus geminin 0.0193 0.676 0.6814
Echinococcus granulosus neuroligin 0.0045 0.0528 0.0532
Entamoeba histolytica hypothetical protein 0.0075 0.1787 0.5
Brugia malayi MH2 domain containing protein 0.014 0.4523 0.453
Echinococcus multilocularis jun protein 0.0085 0.2216 0.2192
Loa Loa (eye worm) hypothetical protein 0.0045 0.0528 0.0482
Loa Loa (eye worm) hypothetical protein 0.0045 0.0528 0.0482
Loa Loa (eye worm) acetylcholinesterase 1 0.0268 0.9922 1
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.4523 0.453
Loa Loa (eye worm) hypothetical protein 0.0268 0.9922 1
Brugia malayi bZIP transcription factor family protein 0.0085 0.2216 0.2192
Loa Loa (eye worm) carboxylesterase 0.0045 0.0528 0.0482
Echinococcus multilocularis acetylcholinesterase 0.0268 0.9922 1
Echinococcus granulosus carboxylesterase 5A 0.0268 0.9922 1
Onchocerca volvulus 0.0045 0.0528 0.0478
Loa Loa (eye worm) hypothetical protein 0.0045 0.0528 0.0482
Brugia malayi Carboxylesterase family protein 0.0268 0.9922 1
Echinococcus multilocularis neuroligin 0.0045 0.0528 0.0482
Mycobacterium ulcerans carboxylesterase, LipT 0.0045 0.0528 0.5
Plasmodium vivax SET domain protein, putative 0.0034 0.0053 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.4523 0.453
Onchocerca volvulus 0.0067 0.1444 0.1398
Echinococcus multilocularis carboxylesterase 5A 0.0268 0.9922 1
Brugia malayi Pre-SET motif family protein 0.0237 0.8618 0.8679
Schistosoma mansoni BC026374 protein (S09 family) 0.0045 0.0528 0.0482
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.1787 0.1801
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0045 0.0528 0.0482
Schistosoma mansoni acetylcholinesterase 0.0045 0.0528 0.0482
Brugia malayi Carboxylesterase family protein 0.0045 0.0528 0.0482
Echinococcus granulosus acetylcholinesterase 0.0268 0.9922 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0268 0.9922 1
Brugia malayi Carboxylesterase family protein 0.0045 0.0528 0.0482
Loa Loa (eye worm) hypothetical protein 0.0045 0.0528 0.0482
Loa Loa (eye worm) carboxylesterase 0.0268 0.9922 1
Entamoeba histolytica hypothetical protein 0.0075 0.1787 0.5
Brugia malayi hypothetical protein 0.0067 0.1444 0.1409
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.1787 0.1757
Schistosoma mansoni hypothetical protein 0.0193 0.676 0.6797
Loa Loa (eye worm) hypothetical protein 0.0268 0.9922 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0528 0.0482
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.2216 0.2234
Echinococcus granulosus jun protein 0.0085 0.2216 0.2234
Onchocerca volvulus 0.0045 0.0528 0.0478
Loa Loa (eye worm) hypothetical protein 0.0045 0.0528 0.0482
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0053 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.0528 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0045 0.0528 0.0482
Onchocerca volvulus 0.0045 0.0528 0.0478
Loa Loa (eye worm) hypothetical protein 0.0083 0.2118 0.2092
Echinococcus multilocularis acetylcholinesterase 0.0268 0.9922 1
Entamoeba histolytica hypothetical protein 0.0075 0.1787 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0045 0.0528 0.5
Brugia malayi Carboxylesterase family protein 0.0045 0.0528 0.0482
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0045 0.0528 0.0532
Schistosoma mansoni gliotactin 0.0045 0.0528 0.0482
Loa Loa (eye worm) carboxylesterase 0.0045 0.0528 0.0482
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0053 0.0053
Brugia malayi Carboxylesterase family protein 0.0045 0.0528 0.0482
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0528 0.0482
Onchocerca volvulus 0.0045 0.0528 0.0478
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.2216 0.2192
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.0528 0.5
Schistosoma mansoni hypothetical protein 0.0059 0.1103 0.1065
Loa Loa (eye worm) hypothetical protein 0.0045 0.0528 0.0482
Brugia malayi Carboxylesterase family protein 0.0268 0.9922 1
Echinococcus granulosus acetylcholinesterase 0.0268 0.9922 1
Brugia malayi hypothetical protein 0.0075 0.1787 0.1757
Onchocerca volvulus 0.0045 0.0528 0.0478
Schistosoma mansoni jun-related protein 0.0069 0.1542 0.1509
Echinococcus granulosus BC026374 protein S09 family 0.0045 0.0528 0.0532
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.1787 0.1757
Trichomonas vaginalis set domain proteins, putative 0.027 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0045 0.0528 0.0482
Schistosoma mansoni hypothetical protein 0.0193 0.676 0.6797
Echinococcus multilocularis BC026374 protein (S09 family) 0.0045 0.0528 0.0482
Schistosoma mansoni hypothetical protein 0.0075 0.1787 0.1757
Schistosoma mansoni hypothetical protein 0.0069 0.1542 0.1509
Entamoeba histolytica hypothetical protein 0.0075 0.1787 0.5
Echinococcus multilocularis geminin 0.0193 0.676 0.6797
Echinococcus granulosus para nitrobenzyl esterase 0.0045 0.0528 0.0532
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0528 0.0482

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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