Detailed information for compound 23160

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.794 | Formula: C15H13ClN2O2S
  • H donors: 2 H acceptors: 2 LogP: 3.9 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1cccc2c1[nH]c(c2)Cl
  • InChi: 1S/C15H13ClN2O2S/c1-10-5-7-12(8-6-10)21(19,20)18-13-4-2-3-11-9-14(16)17-15(11)13/h2-9,17-18H,1H3
  • InChiKey: XHIOMPNTYTUTCP-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
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0041 0.0582 0.0209
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0582 0.5
Brugia malayi hypothetical protein 0.0039 0.0381 0.0381
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0041 0.0582 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0041 0.0582 0.0849
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.3161 0.3161
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0041 0.0689 0.0321
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.3161 0.3314
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0041 0.0582 0.0209
Loa Loa (eye worm) hypothetical protein 0.009 0.9539 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0092 1 1
Echinococcus multilocularis jun protein 0.0092 1 1
Echinococcus multilocularis sodium channel protein 0.0041 0.0689 0.0321
Brugia malayi hypothetical protein 0.0072 0.6386 0.6386
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0041 0.0582 0.0209
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0041 0.0582 0.5
Echinococcus multilocularis ubiquitin specific protease 41 0.0041 0.0582 0.0209
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0041 0.0582 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0092 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0582 0.5
Schistosoma mansoni hypothetical protein 0.0075 0.6847 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0582 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.3161 0.3161
Schistosoma mansoni jun-related protein 0.0075 0.6847 1
Echinococcus granulosus ubiquitin specific protease 41 0.0041 0.0582 0.0209
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0381 0.0556
Loa Loa (eye worm) hypothetical protein 0.0055 0.3161 0.3314
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0041 0.0689 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0582 0.5
Echinococcus granulosus jun protein 0.0092 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0041 0.0582 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0582 0.061
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0041 0.0582 0.0582
Schistosoma mansoni hypothetical protein 0.0039 0.0381 0.0556
Onchocerca volvulus 0.0072 0.6386 0.5
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0041 0.0582 0.0849
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0041 0.0582 0.0209
Echinococcus granulosus sodium channel protein 0.0041 0.0689 0.0321

Activities

Activity type Activity value Assay description Source Reference
Cell cycle analysis (functional) G2/M arrest 0 Effect of the compound on the cell cycle progression using P388 cells at 4.0 ug/mL for 24 hr; G2/M arrest ChEMBL. 10866386
IC50 (functional) = 0.11 ug ml-1 In vitro antiproliferative activity measured against KB cancer cell line using MTT colorimetric assay ChEMBL. 10866386
IC50 (functional) = 0.11 ug ml-1 In vitro antiproliferative activity measured against KB cancer cell line using MTT colorimetric assay ChEMBL. 10866386
IC50 (functional) = 0.14 ug ml-1 In vitro antiproliferative activity measured against P388 cancer cell line using MTT colorimetric assay ChEMBL. 10866386
IC50 (functional) = 0.14 ug ml-1 In vitro antiproliferative activity measured against P388 cancer cell line using MTT colorimetric assay ChEMBL. 10866386
IC50 (functional) = 0.18 ug ml-1 In vitro antiproliferative activity measured against colon 38 cancer cell line using MTT colorimetric assay ChEMBL. 10866386
IC50 (functional) = 0.18 ug ml-1 In vitro antiproliferative activity measured against colon 38 cancer cell line using MTT colorimetric assay ChEMBL. 10866386

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 10866386
Homo sapiens ChEMBL23 10866386

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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