Detailed information for compound 1900192

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 344.17 | Formula: C13H7Cl2NO4S
  • H donors: 1 H acceptors: 3 LogP: 2.95 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1SC(C(=O)N1)Cc1coc2c(c1=O)cc(cc2Cl)Cl
  • InChi: 1S/C13H7Cl2NO4S/c14-6-2-7-10(17)5(4-20-11(7)8(15)3-6)1-9-12(18)16-13(19)21-9/h2-4,9H,1H2,(H,16,18,19)
  • InChiKey: CMZVQQVMTWCMRO-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
Trypanosoma cruzi DNA topoisomerase III, putative 0.004 0.2214 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0021 0.0423 0.1909
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1882 0.1882
Echinococcus granulosus GPCR family 2 0.0017 0.0052 0.0083
Echinococcus granulosus DNA topoisomerase 3 alpha 0.004 0.2214 0.3517
Schistosoma mansoni hypothetical protein 0.0037 0.1882 0.299
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.004 0.2214 0.5
Brugia malayi Probable ClpP-like protease 0.0084 0.6294 0.6294
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.6294 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.36 0.572
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.6294 1
Schistosoma mansoni hypothetical protein 0.0017 0.0052 0.0083
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0052 0.0083
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.3459 0.3459
Plasmodium falciparum DNA topoisomerase 3, putative 0.004 0.2214 0.3517
Echinococcus multilocularis GPCR, family 2 0.0017 0.0052 0.0083
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0081 0.6017 0.9559
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0021 0.0423 0.0423
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0052 0.0052
Trypanosoma cruzi DNA topoisomerase IA, putative 0.004 0.2214 1
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.36 0.572
Leishmania major DNA topoisomerase 1A 0.004 0.2214 0.3679
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0052 0.0052
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.6294 1
Trypanosoma brucei DNA topoisomerase III, putative 0.0021 0.0423 0.1909
Trypanosoma cruzi DNA topoisomerase III, putative 0.004 0.2214 1
Brugia malayi DNA topoisomerase III beta-1 0.0021 0.0423 0.0423
Loa Loa (eye worm) hypothetical protein 0.0026 0.0908 0.0908
Schistosoma mansoni hypothetical protein 0.0017 0.0052 0.0083
Loa Loa (eye worm) hypothetical protein 0.0053 0.3459 0.3459
Trypanosoma brucei DNA topoisomerase III, putative 0.004 0.2214 1
Leishmania major hypothetical protein, conserved 0.0026 0.0908 0.1509
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.004 0.2214 0.2038
Trypanosoma brucei DNA topoisomerase IA, putative 0.004 0.2214 1
Brugia malayi hypothetical protein 0.0017 0.0046 0.0046
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.6294 1
Schistosoma mansoni hypothetical protein 0.0017 0.0052 0.0083
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.3459 0.3459
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Trypanosoma cruzi DNA topoisomerase IA, putative 0.004 0.2214 1
Leishmania major DNA topoisomerase III, putative 0.0021 0.0423 0.0702
Loa Loa (eye worm) transcription factor SMAD2 0.0124 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Toxoplasma gondii hypothetical protein 0.0029 0.1169 0.1857
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.6294 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0908 0.4103
Loa Loa (eye worm) DNA topoisomerase III 0.004 0.2214 0.2214
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0908 0.4103
Loa Loa (eye worm) hypothetical protein 0.0017 0.0052 0.0052
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0052 0.0052
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.36 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0021 0.0423 0.0672
Toxoplasma gondii SWI2/SNF2-containing protein 0.0041 0.2278 0.3619
Mycobacterium tuberculosis DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (nicking-c 0.0019 0.0266 0.0738
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0021 0.0423 0.0672
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.1169 0.1857
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0021 0.0423 0.0672
Giardia lamblia DNA topoisomerase III 0.004 0.2214 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.3459 0.3459
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0052 0.0083
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0908 0.1443
Loa Loa (eye worm) hypothetical protein 0.0037 0.1882 0.1882
Schistosoma mansoni hypothetical protein 0.0017 0.0052 0.0083
Plasmodium vivax DNA topoisomerase 3, putative 0.004 0.2214 0.3517
Brugia malayi DNA topoisomerase III 0.004 0.2214 0.2214
Leishmania major DNA topoisomerase III, putative 0.0081 0.6017 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.36 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0062 0.4226 0.6714
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0052 0.0083
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0908 0.1443
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 1 1
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.004 0.2214 0.5
Onchocerca volvulus 0.0021 0.0423 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.36 0.4744
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Echinococcus multilocularis rho GTPase activating protein 20 0.004 0.2214 0.3517
Treponema pallidum DNA topoisomerase I (topA) 0.0081 0.6017 0.9458
Toxoplasma gondii DNA topoisomerase family protein 0.004 0.2214 0.3517
Brugia malayi hypothetical protein 0.0026 0.0908 0.0908
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0908 0.1443
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0908 0.1443
Entamoeba histolytica DNA topoisomerase III, putative 0.004 0.2214 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.1169 0.1857
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0908 0.4103
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.6294 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0052 0.0083
Loa Loa (eye worm) hypothetical protein 0.0084 0.6294 0.6294

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Transactivation of PPAR-gamma (unknown origin) expressed in HEK293 cells at 10 uM after 24 hrs by luciferase reporter gene assay ChEMBL. 24890090

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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