Detailed information for compound 114885

Basic information

Technical information
  • TDR Targets ID: 114885
  • Name: 5,6-dichloro-1,3-dihydrobenzimidazole-2-thion e
  • MW: 219.091 | Formula: C7H4Cl2N2S
  • H donors: 1 H acceptors: 1 LogP: 3.23 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Sc1[nH]c2c(n1)cc(c(c2)Cl)Cl
  • InChi: 1S/C7H4Cl2N2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
  • InChiKey: AFDOMGKBKBKUHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 19462-98-7
  • NSC 140854
  • ZINC00150228
  • NSC140854
  • BTB 02521
  • 2-Mercapto-5,6-dichlorobenzimidazole
  • 5,7diCl2SH-BzInd
  • AIDS-006012
  • AIDS006012
  • Maybridge1_000567

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
Toxoplasma gondii thymidylate kinase 0.00844282 1 0.5
Treponema pallidum thymidylate kinase (tmk) 0.00844282 1 0.5
Chlamydia trachomatis thymidylate kinase 0.00844282 1 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.00844282 1 1
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.00844282 1 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.00844282 1 1
Mycobacterium ulcerans thymidylate kinase 0.00844282 1 0.5
Trypanosoma cruzi thymidine kinase, putative 0.0057307 0.467403 0.467403
Trypanosoma cruzi thymidine kinase, putative 0.0057307 0.467403 0.467403
Trypanosoma cruzi thymidylate kinase, putative 0.00844282 1 1
Treponema pallidum thymidylate kinase (tmk) 0.00844282 1 0.5
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.00844282 1 0.5
Giardia lamblia CDC8 0.00844282 1 1
Echinococcus granulosus thymidylate kinase 0.00844282 1 0.5
Plasmodium vivax thymidylate kinase, putative 0.00844282 1 0.5
Trypanosoma brucei thymidylate kinase, putative 0.00844282 1 1
Trichomonas vaginalis thymidylate kinase, putative 0.00844282 1 1
Trypanosoma cruzi thymidine kinase, putative 0.0057307 0.467403 0.467403
Schistosoma mansoni hypothetical protein 0.00844282 1 0.5
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.00844282 1 0.5
Mycobacterium ulcerans thymidylate kinase 0.00844282 1 0.5
Trypanosoma brucei thymidylate kinase, putative 0.00844282 1 1
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.00844282 1 0.5
Loa Loa (eye worm) thymidylate kinase 0.00844282 1 0.5
Giardia lamblia CDC8 0.00844282 1 1
Trichomonas vaginalis thymidylate kinase, putative 0.00844282 1 1
Leishmania major thymidine kinase, putative 0.0057307 0.467403 0.467403
Trypanosoma cruzi thymidylate kinase, putative 0.00844282 1 1
Onchocerca volvulus Putative thymidylate kinase 0.00844282 1 0.5
Schistosoma mansoni thymidylate kinase 0.00844282 1 0.5
Entamoeba histolytica Thymidylate kinase, putative 0.00844282 1 1
Brugia malayi thymidylate kinase 0.00844282 1 0.5
Schistosoma mansoni hypothetical protein 0.00844282 1 0.5
Echinococcus multilocularis thymidylate kinase 0.00844282 1 0.5
Leishmania major thymidine kinase, putative 0.0057307 0.467403 0.467403
Plasmodium falciparum thymidylate kinase 0.00844282 1 0.5
Echinococcus multilocularis thymidylate kinase 0.00844282 1 0.5
Echinococcus granulosus thymidylate kinase 0.00844282 1 0.5
Schistosoma mansoni thymidylate kinase 0.00844282 1 0.5
Loa Loa (eye worm) thymidylate kinase 0.00844282 1 0.5
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.00844282 1 0.5
Leishmania major thymidylate kinase-like protein 0.00844282 1 1
Plasmodium falciparum thymidylate kinase 0.00844282 1 0.5
Trypanosoma cruzi thymidine kinase, putative 0.0057307 0.467403 0.467403
Brugia malayi thymidylate kinase 0.00844282 1 0.5
Schistosoma mansoni thymidylate kinase 0.00844282 1 0.5
Schistosoma mansoni thymidylate kinase 0.00844282 1 0.5
Trypanosoma cruzi thymidylate kinase, putative 0.00844282 1 1
Onchocerca volvulus Putative thymidylate kinase 0.00844282 1 0.5
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.00844282 1 0.5
Chlamydia trachomatis thymidylate kinase 0.00844282 1 0.5
Trypanosoma brucei thymidylate kinase, putative 0.00844282 1 1
Leishmania major thymidylate kinase-like protein 0.00844282 1 1
Trypanosoma brucei thymidylate kinase, putative 0.00844282 1 1
Toxoplasma gondii thymidylate kinase 0.00844282 1 0.5
Plasmodium vivax thymidylate kinase, putative 0.00844282 1 0.5
Entamoeba histolytica Thymidylate kinase, putative 0.00844282 1 1
Trypanosoma cruzi thymidylate kinase, putative 0.00844282 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = -7.26 Antiamoebic activity against Entamoeba histolytica ChEMBL. 17074492
IC50 (functional) = 0.055 uM The compound was tested in vitro against the protozoa Entamoeba histolytica, for the inhibition of tubulin polymerization in rat brain ChEMBL. 12127542
IC50 (functional) = 0.055 uM The compound was tested in vitro against the protozoa Entamoeba histolytica, for the inhibition of tubulin polymerization in rat brain ChEMBL. 12127542
IC50 (functional) = 0.078 uM The compound was tested in vitro against the protozoa Giardia lamblia, for the inhibition of tubulin polymerization in rat brain ChEMBL. 12127542
Log IC50 (functional) = 7.26 Antiamoebic activity against Entamoeba histolytica ChEMBL. 17074492
Viability (functional) = 23 % Percentage viability reduction of Trichinella spiralis muscle larvae after 3 days of incubation ChEMBL. 12127542

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Entamoeba histolytica ChEMBL23 12127542

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

2 literature references were collected for this gene.

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