Detailed information for compound 1806423

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.658 | Formula: C14H10Cl3NO4S
  • H donors: 1 H acceptors: 3 LogP: 4.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(c(c1)Cl)NS(=O)(=O)c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C14H10Cl3NO4S/c1-22-14(19)8-2-5-13(12(17)6-8)18-23(20,21)9-3-4-10(15)11(16)7-9/h2-7,18H,1H3
  • InChiKey: XBIZZHOSFUXUMA-UHFFFAOYSA-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
Schistosoma mansoni microtubule-associated protein tau 0.0806 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0189 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.0797 0.2769
Onchocerca volvulus 0.0277 0.3266 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.2863 0.995
Brugia malayi Pre-SET motif family protein 0.0035 0.0189 0.0632
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.0633 0.0633
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0189 0.0189
Echinococcus multilocularis zinc finger protein 0.0023 0.0037 0.0037
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0173 0.0173
Schistosoma mansoni thyroid hormone receptor 0.0144 0.1583 0.1583
Onchocerca volvulus 0.0035 0.0189 0.058
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.1329 0.1329
Loa Loa (eye worm) hypothetical protein 0.0048 0.0351 0.122
Schistosoma mansoni hypothetical protein 0.0024 0.0052 0.0052
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.028 0.028
Schistosoma mansoni thyroid hormone receptor 0.0144 0.1583 0.1583
Brugia malayi PHD-finger family protein 0.0029 0.0116 0.0387
Brugia malayi Bromodomain containing protein 0.0088 0.086 0.287
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0189 0.0189
Brugia malayi Nuclear hormone receptor-like 1 0.0256 0.2998 1
Plasmodium vivax SET domain protein, putative 0.0035 0.0189 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0316 0.1098
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0055 0.0443 0.0443
Schistosoma mansoni bromodomain containing protein 0.0074 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0055 0.0443 0.1539
Schistosoma mansoni hypothetical protein 0.0124 0.1329 0.1329
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.028 0.028
Brugia malayi Nuclear hormone receptor-like 1 0.0246 0.2878 0.96
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0052 0.0182
Brugia malayi Bromodomain containing protein 0.0045 0.0315 0.1051
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.1329 0.1329
Echinococcus granulosus zinc finger protein 0.0023 0.0037 0.0037
Echinococcus multilocularis microtubule associated protein 2 0.0806 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0144 0.1583 0.1583
Trichomonas vaginalis set domain proteins, putative 0.0277 0.3266 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0081 0.0081
Schistosoma mansoni zinc finger protein 0.0023 0.0037 0.0037
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0243 0.2838 0.9863
Brugia malayi Nuclear hormone receptor-like 1 0.0246 0.2878 0.96
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0189 0.0189
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0008 0.0029
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0443 0.0443
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0081 0.0081
Echinococcus granulosus histone lysine methyltransferase setb 0.0055 0.0443 0.0443
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0246 0.2878 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.0633 0.0633
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0055 0.0443 0.0443
Brugia malayi Pre-SET motif family protein 0.0243 0.2838 0.9469
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.005 0.038 0.1319

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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