Detailed information for compound 1826357

Basic information

Technical information
  • TDR Targets ID: 1826357
  • Name: Maybridge1_003191
  • MW: 293.196 | Formula: C8H6Cl2N4S2
  • H donors: 2 H acceptors: 1 LogP: 3.24 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1scc(n1)c1cc(sc1Cl)Cl
  • InChi: 1S/C8H6Cl2N4S2/c9-5-1-3(6(10)16-5)4-2-15-8(13-4)14-7(11)12/h1-2H,(H4,11,12,13,14)
  • InChiKey: XZVWQNJJRGGNEL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • SR-01000641700-1
  • CD 11359

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens telomerase reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Telomerase reverse transcriptase homolog Get druggable targets OG5_131652 All targets in OG5_131652
Candida albicans telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Babesia bovis conserved hypothetical protein Get druggable targets OG5_131652 All targets in OG5_131652
Theileria parva hypothetical protein Get druggable targets OG5_131652 All targets in OG5_131652
Candida albicans telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Brugia malayi Telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
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
Entamoeba histolytica casein kinase, putative 0.1676 1 1
Plasmodium falciparum casein kinase II beta chain 0.0913 0.4561 0.3901
Toxoplasma gondii ck2 beta subunit 0.0913 0.4561 0.3901
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0913 0.4561 0.0547
Trichomonas vaginalis CMGC family protein kinase 0.1676 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0869 0.4246 0.3547
Plasmodium vivax unspecified product 0.1676 1 1
Trypanosoma cruzi casein kinase II, putative 0.1676 1 1
Brugia malayi Csnk2b protein 0.0913 0.4561 0.4561
Leishmania major casein kinase II, putative 0.1676 1 1
Loa Loa (eye worm) Csnk2b protein 0.0913 0.4561 0.3901
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0913 0.4561 0.0547
Entamoeba histolytica protein kinase domain containing protein 0.1676 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1676 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0869 0.4246 0.4246
Loa Loa (eye worm) carbonic anhydrase 3 0.0869 0.4246 0.3547
Trichomonas vaginalis CMGC family protein kinase 0.1676 1 1
Schistosoma mansoni casein kinase II beta subunit 0.0913 0.4561 0.3901
Echinococcus granulosus carbonic anhydrase II 0.0869 0.4246 0.3547
Trichomonas vaginalis CMGC family protein kinase 0.1676 1 1
Toxoplasma gondii CMGC kinase, CK2 family 0.1676 1 1
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0913 0.4561 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0425 0.1082 0.1082
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0913 0.4561 0.0547
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0869 0.4246 0.3547
Plasmodium falciparum casein kinase II beta chain 0.0913 0.4561 0.3901
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0425 0.1082 0.1082
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0913 0.4561 0.0547
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0913 0.4561 0.3901
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.1676 1 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.1676 1 1
Echinococcus granulosus casein kinase ii subunit beta 0.0913 0.4561 0.3901
Trypanosoma brucei Casein kinase II 0.1676 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0869 0.4246 0.3547
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0425 0.1082 0.1082
Giardia lamblia Kinase, CMGC CK2 0.1676 1 1
Echinococcus multilocularis casein kinase ii subunit alpha 0.1676 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0869 0.4246 0.4246
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0425 0.1082 0.1082
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0913 0.4561 1
Echinococcus multilocularis casein kinase ii subunit beta 0.0913 0.4561 0.3901
Echinococcus granulosus casein kinase ii subunit alpha 0.1676 1 1
Echinococcus multilocularis carbonic anhydrase II 0.0869 0.4246 0.3547
Schistosoma mansoni protein kinase 0.1676 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0425 0.1082 0.1082
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.1676 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1676 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1676 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1676 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1 uM Inhibition of human telomerase activity by TRAP assay ChEMBL. 24053596

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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