Detailed information for compound 111010

Basic information

Technical information
  • TDR Targets ID: 111010
  • Name: 1-chloro-4-methylthioxanthen-9-one
  • MW: 260.739 | Formula: C14H9ClOS
  • H donors: 0 H acceptors: 1 LogP: 4.5 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c2c1sc1ccccc1c2=O)Cl
  • InChi: 1S/C14H9ClOS/c1-8-6-7-10(15)12-13(16)9-4-2-3-5-11(9)17-14(8)12/h2-7H,1H3
  • InChiKey: CEZJUBYDGRMXGE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-chloro-4-methyl-thioxanthen-9-one
  • 1-chloro-4-methyl-9-thioxanthenone
  • 57450-55-2
  • EINECS 260-740-7
  • 1-Chloro-4-methyldibenzo(b,e)thiin-10-one

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 receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0333 0.026 0.026
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Echinococcus multilocularis hypothetical protein 0.0333 0.026 0.026
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.4959 0.5706 0.5
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0333 0.026 0.026
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0491 0.0446 0.0446
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.4959 0.5706 1
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0333 0.026 0.026
Echinococcus multilocularis 0.0333 0.026 0.026
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.4959 0.5706 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0333 0.026 0.026
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.3431 0.3906 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1529 0.1667 0.2584
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0333 0.026 0.026
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0333 0.026 0.026
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.8606 1 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Trypanosoma cruzi hypothetical protein, conserved 0.1529 0.1667 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.4959 0.5706 0.5591
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0333 0.026 0.026
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0333 0.026 0.026
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0333 0.026 0.026
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0333 0.026 0.026
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Onchocerca volvulus 0.4959 0.5706 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.4959 0.5706 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.4959 0.5706 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.4959 0.5706 1
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0333 0.026 0.026
Loa Loa (eye worm) protein-tyrosine phosphatase 0.8606 1 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0333 0.026 0.026
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.8606 1 1
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0333 0.026 0.026
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Entamoeba histolytica protein tyrosine phosphatase, putative 0.4959 0.5706 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0333 0.026 0.026
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0333 0.026 0.026
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Entamoeba histolytica protein tyrosine phosphatase, putative 0.4959 0.5706 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0333 0.026 0.026
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Schistosoma mansoni pcd6 interacting protein-related 0.0333 0.026 0.026
Echinococcus granulosus protein tyrosine phosphatase n9 0.0333 0.026 0.026
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0333 0.026 0.026
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0333 0.026 0.026
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.8606 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0333 0.026 0.026
Toxoplasma gondii MAPEG family protein 0.0113 0 0.5
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0333 0.026 0.026
Schistosoma mansoni protein tyrosine phosphatase 0.0333 0.026 0.026
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0333 0.026 0.026
Leishmania major hypothetical protein, conserved 0.1529 0.1667 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0333 0.026 0.026
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0333 0.026 0.026
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.1529 0.1667 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0333 0.026 0.026
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.4959 0.5706 1
Trypanosoma cruzi hypothetical protein, conserved 0.1529 0.1667 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0333 0.026 0.026
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0333 0.026 0.026
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0333 0.026 0.026
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1529 0.1667 0.2584
Schistosoma mansoni protein tyrosine phosphatase 0.0333 0.026 0.026
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.4959 0.5706 0.5591
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0333 0.026 0.026
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0333 0.026 0.026
Schistosoma mansoni protein tyrosine phosphatase 0.0333 0.026 0.026
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0333 0.026 0.026
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.4959 0.5706 1
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0333 0.026 0.026

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % Percentage inhibition of Monoamine oxidase B (MAO-B) at 1 microM concentration ChEMBL. 9622553
Inhibition (binding) = 0 % Percentage inhibition of Monoamine oxidase B (MAO-B) at 1 microM concentration ChEMBL. 9622553
Inhibition (binding) = 55 % Percent inhibition against monoamine oxidase A at 1 microM concentration. ChEMBL. 9622553
Inhibition (binding) = 55 % Percent inhibition against monoamine oxidase A at 1 microM concentration. ChEMBL. 9622553

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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