Detailed information for compound 1739879

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 461.344 | Formula: C19H10Cl2N4O2S2
  • H donors: 0 H acceptors: 5 LogP: 4.93 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)c1nc2n(c3c1scc3)nnc2S(=O)(=O)c1cccc(c1)Cl
  • InChi: 1S/C19H10Cl2N4O2S2/c20-12-4-1-3-11(9-12)16-17-15(7-8-28-17)25-18(22-16)19(23-24-25)29(26,27)14-6-2-5-13(21)10-14/h1-10H
  • InChiKey: NYOYGUHLSSJVCZ-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
Loa Loa (eye worm) hypothetical protein 0.1712 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0192 0.0192
Schistosoma mansoni histone deacetylase 1 2 3 0.0749 0.4273 0.4273
Plasmodium vivax histone deacetylase, putative 0.1424 0.8287 0.8287
Echinococcus granulosus histone deacetylase 7 0.1424 0.8287 0.8287
Loa Loa (eye worm) hypothetical protein 0.0705 0.4014 0.4014
Brugia malayi histone deacetylase 1 (HD1) 0.1712 1 1
Echinococcus multilocularis histone deacetylase 3 0.1712 1 1
Echinococcus multilocularis histone deacetylase 0.1424 0.8287 0.8287
Toxoplasma gondii histone deacetylase HDAC2 0.1712 1 1
Echinococcus granulosus histone deacetylase 6 0.1424 0.8287 0.8287
Echinococcus granulosus histone deacetylase 6 0.1424 0.8287 0.8287
Toxoplasma gondii histone deacetylase HDAC5 0.0749 0.4273 0.4273
Plasmodium falciparum histone deacetylase, putative 0.1424 0.8287 0.8287
Brugia malayi Histone deacetylase family protein 0.1424 0.8287 0.8287
Trichomonas vaginalis histone deacetylase, putative 0.1712 1 1
Schistosoma mansoni histone deacetylase 0.1712 1 1
Brugia malayi Histone deacetylase 1 0.1712 1 1
Entamoeba histolytica histone deacetylase, putative 0.1712 1 1
Trichomonas vaginalis histone deacetylase, putative 0.1712 1 1
Loa Loa (eye worm) hypothetical protein 0.0749 0.4273 0.4273
Trichomonas vaginalis histone deacetylase, putative 0.1712 1 1
Leishmania major histone deacetylase, putative 0.1424 0.8287 0.8287
Trichomonas vaginalis histone deacetylase, putative 0.1712 1 1
Schistosoma mansoni histone deacetylase hda2 0.0749 0.4273 0.4273
Schistosoma mansoni histone deacetylase hda2 0.1454 0.8469 0.8469
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0072 0.0249 0.0249
Onchocerca volvulus Histone deacetylase 10 homolog 0.0749 0.4273 1
Brugia malayi Histone deacetylase family protein 0.1424 0.8287 0.8287
Trypanosoma cruzi histone deacetylase, putative 0.1424 0.8287 0.8287
Trypanosoma brucei histone deacetylase 1 0.1712 1 1
Trichomonas vaginalis histone deacetylase, putative 0.1712 1 1
Schistosoma mansoni histone deacetylase 0.1712 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.1424 0.8287 0.8287
Trypanosoma brucei histone deacetylase 3 0.1424 0.8287 0.8287
Plasmodium vivax histone deacetylase 1, putative 0.1712 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.1712 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0072 0.0249 0.0249
Echinococcus granulosus histone deacetylase 3 0.1712 1 1
Echinococcus multilocularis histone deacetylase 6 0.1424 0.8287 0.8287
Toxoplasma gondii histone deacetylase HDAC4 0.0749 0.4273 0.4273
Echinococcus multilocularis histone deacetylase 1 0.1712 1 1
Trypanosoma cruzi histone deacetylase, putative 0.1424 0.8287 0.8287
Schistosoma mansoni voltage-gated potassium channel 0.0079 0.0289 0.0289
Echinococcus granulosus histone deacetylase 1 0.1712 1 1
Trypanosoma brucei histone deacetylase, putative 0.1424 0.8287 0.8287
Trypanosoma cruzi histone deacetylase, putative 0.1424 0.8287 0.8287
Leishmania major histone deacetylase, putative 0.1712 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0079 0.0289 0.0289
Leishmania major histone deacetylase, putative 0.1712 1 1
Loa Loa (eye worm) histone deacetylase 1 0.1712 1 1
Loa Loa (eye worm) histone deacetylase 7A 0.1424 0.8287 0.8287
Echinococcus multilocularis histone deacetylase 7 0.1424 0.8287 0.8287
Trypanosoma cruzi histone deacetylase, putative 0.0749 0.4273 0.4273
Plasmodium falciparum histone deacetylase 2 0.1424 0.8287 0.8287
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0068 0.0221 0.0221
Trypanosoma cruzi histone deacetylase, putative 0.0749 0.4273 0.4273
Schistosoma mansoni histone deacetylase 4 5 0.1424 0.8287 0.8287
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1712 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1712 1 1
Brugia malayi histone deacetylase 11 0.0749 0.4273 0.4273
Plasmodium vivax histone deacetylase 2, putative 0.1424 0.8287 0.8287
Trypanosoma cruzi histone deacetylase 1, putative 0.1712 1 1
Echinococcus multilocularis histone deacetylase 8 0.0749 0.4273 0.4273
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1712 1 1
Schistosoma mansoni histone deacetylase 4 5 0.1424 0.8287 0.8287
Echinococcus multilocularis histone deacetylase 6 0.1424 0.8287 0.8287
Trypanosoma brucei histone deacetylase 4 0.1424 0.8287 0.8287
Trypanosoma brucei histone deacetylase 2 0.0749 0.4273 0.4273
Toxoplasma gondii histone deacetylase HDAC3 0.1712 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0068 0.0221 0.0221
Trichomonas vaginalis histone deacetylase, putative 0.1712 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0072 0.0249 0.0249
Echinococcus multilocularis histone deacetylase 6 0.1454 0.8469 0.8469
Echinococcus granulosus histone deacetylase 0.1424 0.8287 0.8287
Loa Loa (eye worm) histone deacetylase 11 0.0749 0.4273 0.4273
Echinococcus granulosus histone deacetylase 6 0.1454 0.8469 0.8469
Loa Loa (eye worm) hypothetical protein 0.0675 0.3832 0.3832
Giardia lamblia Histone deacetylase 0.1712 1 1
Plasmodium falciparum histone deacetylase 1 0.1712 1 1
Echinococcus granulosus histone deacetylase 8 0.0749 0.4273 0.4273
Loa Loa (eye worm) histone deacetylase 0.1424 0.8287 0.8287
Leishmania major histone deacetylase, putative 0.1424 0.8287 0.8287
Plasmodium vivax histone deacetylase, putative 0.0749 0.4273 0.4273
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0072 0.0249 0.0249
Loa Loa (eye worm) histone deacetylase 3 0.1712 1 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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