Detailed information for compound 301233

Basic information

Technical information
  • TDR Targets ID: 301233
  • Name: 2-amino-6-chloro-3-(2,4-dichlorophenoxy)benze nesulfonic acid
  • MW: 368.62 | Formula: C12H8Cl3NO4S
  • H donors: 2 H acceptors: 3 LogP: 3.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)Oc1ccc(c(c1N)S(=O)(=O)O)Cl
  • InChi: 1S/C12H8Cl3NO4S/c13-6-1-3-9(8(15)5-6)20-10-4-2-7(14)12(11(10)16)21(17,18)19/h1-5H,16H2,(H,17,18,19)
  • InChiKey: MBGCVMRGYAYUQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-azanyl-6-chloro-3-(2,4-dichlorophenoxy)benzenesulfonic acid
  • 2-amino-6-chloro-3-(2,4-dichlorophenoxy)besylic acid

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
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0258 0.2564 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0258 0.2564 1
Trypanosoma brucei telomerase reverse transcriptase 0.0258 0.2564 1
Plasmodium falciparum telomerase reverse transcriptase 0.0258 0.2564 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0476 0.8527
Loa Loa (eye worm) hypothetical protein 0.0026 0.0051 0.0913
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0441 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0476 0.0598
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0441 1
Echinococcus granulosus p2X purinoceptor 4 0.007 0.0526 0.3086
Echinococcus granulosus geminin 0.0174 0.1657 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0558 1
Brugia malayi histone deacetylase 1 (HD1) 0.0062 0.0441 0.0549
Echinococcus multilocularis p2X purinoceptor 4 0.007 0.0526 0.3086
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0476 0.8527
Entamoeba histolytica histone deacetylase, putative 0.0062 0.0441 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0197 0.3541
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0182 0.098
Brugia malayi Telomerase reverse transcriptase 0.0687 0.7206 1
Leishmania major telomerase reverse transcriptase, putative 0.0258 0.2564 1
Echinococcus multilocularis p2X purinoceptor 4 0.007 0.0526 0.3086
Giardia lamblia Telomerase catalytic subunit 0.0258 0.2564 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0476 0.2777
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0182 0.052
Loa Loa (eye worm) histone deacetylase 3 0.0062 0.0441 0.7901
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0021 0.0128
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0182 0.052
Loa Loa (eye worm) hypothetical protein 0.0062 0.0441 0.7901
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0476 0.287
Brugia malayi RNA binding protein 0.0065 0.0476 0.0598
Toxoplasma gondii RNA-directed DNA polymerase 0.0258 0.2564 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0182 0.052
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0435 0.2529
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0138 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0441 1
Toxoplasma gondii histone deacetylase HDAC3 0.0062 0.0441 0.1551
Toxoplasma gondii histone deacetylase HDAC2 0.0062 0.0441 0.1551
Schistosoma mansoni P2X receptor subunit 0.007 0.0526 0.3175
Echinococcus multilocularis histone deacetylase 1 0.0062 0.0441 0.2564
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0182 0.052
Loa Loa (eye worm) inositol-1 0.0038 0.0182 0.3255
Loa Loa (eye worm) hypothetical protein 0.0044 0.0245 0.4395
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.0441 0.1551
Echinococcus granulosus p2X purinoceptor 4 0.007 0.0526 0.3086
Echinococcus multilocularis histone deacetylase 3 0.0062 0.0441 0.2564
Schistosoma mansoni histone deacetylase 0.0062 0.0441 0.2659
Echinococcus granulosus histone deacetylase 1 0.0062 0.0441 0.2564
Brugia malayi Bromodomain containing protein 0.0039 0.0197 0.0208
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0435 0.2529
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0441 1
Plasmodium falciparum histone deacetylase 1 0.0062 0.0441 0.1551
Leishmania major histone deacetylase, putative 0.0062 0.0441 0.1551
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0476 0.287
Echinococcus multilocularis geminin 0.0174 0.1657 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.017 0.0911
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0182 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0224 0.4014
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0441 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0476 0.287
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0441 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.0476 0.2777
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0476 0.287
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0182 0.098
Schistosoma mansoni hypothetical protein 0.0174 0.1657 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.017 0.0911
Brugia malayi Inositol-1 0.0038 0.0182 0.0187
Echinococcus granulosus p2X purinoceptor 4 0.007 0.0526 0.3086
Loa Loa (eye worm) histone deacetylase 1 0.0062 0.0441 0.7901
Loa Loa (eye worm) RNA binding protein 0.0065 0.0476 0.8527
Schistosoma mansoni bromodomain containing protein 0.0065 0.0475 0.2866
Brugia malayi TAR-binding protein 0.0065 0.0476 0.0598
Brugia malayi Bromodomain containing protein 0.0077 0.0605 0.0779
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0182 0.052
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0476 0.287
Echinococcus granulosus histone deacetylase 3 0.0062 0.0441 0.2564
Plasmodium vivax telomerase reverse transcriptase, putative 0.0258 0.2564 1
Plasmodium vivax histone deacetylase 1, putative 0.0062 0.0441 0.1551
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0182 0.5
Schistosoma mansoni inositol monophosphatase 0.0038 0.0182 0.1095
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.0441 0.1551
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0441 1
Brugia malayi hypothetical protein 0.0026 0.0051 0.0005
Brugia malayi Histone deacetylase 1 0.0062 0.0441 0.0549
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0441 1
Brugia malayi histone deacetylase 3 (HD3) 0.0062 0.0441 0.0549
Schistosoma mansoni hypothetical protein 0.0174 0.1657 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0182 0.1095
Schistosoma mansoni P2X receptor subunit 0.007 0.0526 0.3175
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0441 1
Leishmania major histone deacetylase, putative 0.0062 0.0441 0.1551
Schistosoma mansoni P2X receptor subunit 0.007 0.0526 0.3175
Trypanosoma brucei histone deacetylase 1 0.0062 0.0441 0.1551
Echinococcus multilocularis p2X purinoceptor 4 0.007 0.0526 0.3086
Schistosoma mansoni P2X receptor subunit 0.007 0.0526 0.3175
Schistosoma mansoni histone deacetylase 0.0062 0.0441 0.2659
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0138 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (ADMET) = 20 uM Binding affinity of the compound towards cytochrome P450 2C9 ChEMBL. 14761192
Ki (ADMET) = 20 uM Binding affinity of the compound towards cytochrome P450 2C9 ChEMBL. 14761192

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

1 literature reference was collected for this gene.

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