Detailed information for compound 213266

Basic information

Technical information
  • TDR Targets ID: 213266
  • Name: 1,1-dioxo-2-phenylthiochromen-4-one
  • MW: 270.303 | Formula: C15H10O3S
  • H donors: 0 H acceptors: 3 LogP: 2.45 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C=C(c2ccccc2)S(=O)(=O)c2c1cccc2
  • InChi: 1S/C15H10O3S/c16-13-10-15(11-6-2-1-3-7-11)19(17,18)14-9-5-4-8-12(13)14/h1-10H
  • InChiKey: FJAZFZVVYUKQSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,1-dioxo-2-phenyl-thiochromen-4-one
  • 1,1-dioxo-2-phenyl-1-benzothiopyran-4-one
  • 1,1-diketo-2-phenyl-thiochromen-4-one
  • 1,1-dioxo-2-phenyl-4-thiochromenone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5) Human herpes virus 5 capsid protein P40 Starlite/ChEMBL References

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 granulosus protein farnesyltransferase alpha subunit 0.0177 0.5591 1
Trypanosoma brucei squalene synthase, putative 0.0246 1 1
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0164 0.4757 0.7859
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0177 0.5591 1
Trypanosoma cruzi squalene synthase, putative 0.0246 1 1
Trypanosoma cruzi protein farnesyltransferase, putative 0.0164 0.4757 0.4757
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0177 0.5591 1
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0164 0.4757 0.7859
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0164 0.4757 0.7859
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0164 0.4757 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0177 0.5591 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0177 0.5591 1
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0164 0.4757 0.7859
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0164 0.4757 0.7859
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0164 0.4757 0.4757
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0164 0.4757 0.7732
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0177 0.5591 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0164 0.4757 0.7859
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.009 0 0.5
Trypanosoma cruzi protein farnesyltransferase, putative 0.0164 0.4757 0.4757
Loa Loa (eye worm) hypothetical protein 0.0177 0.5591 1
Giardia lamblia Rab geranylgeranyltransferase 0.0177 0.5591 1
Trypanosoma cruzi squalene synthase, putative 0.0246 1 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0177 0.5591 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0177 0.5591 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0177 0.5591 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0177 0.5591 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0177 0.5591 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.5 uM Inhibitory activity of the compound against human cytomegalovirus (HCMV) protease was evaluated ChEMBL. 9934494
IC50 (binding) = 1.5 uM Inhibitory activity of the compound against human cytomegalovirus (HCMV) protease was evaluated ChEMBL. 9934494

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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