Detailed information for compound 1812278

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.201 | Formula: C13H8Cl2F3N5O2S
  • H donors: 1 H acceptors: 5 LogP: 3.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1NS(=O)(=O)c1nn2c(n1)cc(nc2C)C(F)(F)F)Cl
  • InChi: 1S/C13H8Cl2F3N5O2S/c1-6-19-9(13(16,17)18)5-10-20-12(21-23(6)10)26(24,25)22-11-7(14)3-2-4-8(11)15/h2-5,22H,1H3
  • InChiKey: IWIVAMOZIDHPGR-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Arabidopsis thaliana acetolactate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) ILVBL protein Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) thiamine pyrophosphate enzyme Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899

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 protein kinase 2, putative 0.0321 0.62 0.4899
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0317 0.6116 0.977
Trypanosoma cruzi Protein kinase B 0.0321 0.62 0.5
Brugia malayi Hr1 repeat family protein 0.0165 0.255 0.0932
Echinococcus granulosus nervana 2 0.0317 0.6116 0.977
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0165 0.255 0.2196
Trichomonas vaginalis AGC family protein kinase 0.0165 0.255 0.0111
Schistosoma mansoni serine/threonine kinase 0.0165 0.255 0.2504
Entamoeba histolytica PH domain containing protein kinase, putative 0.0321 0.62 0.4899
Echinococcus multilocularis nervana 2 0.0317 0.6116 0.977
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.255 0.2504
Brugia malayi Protein kinase domain containing protein 0.0483 1 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0133 0.1785 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0321 0.62 0.5
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0165 0.255 0.2196
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0133 0.1785 1
Loa Loa (eye worm) ILVBL protein 0.008 0.0554 0.0105
Trichomonas vaginalis AGC family protein kinase 0.0165 0.255 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0483 1 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0165 0.255 0.2196
Trichomonas vaginalis AGC family protein kinase 0.0483 1 1
Echinococcus granulosus nervana 2 0.0317 0.6116 0.977
Brugia malayi Protein kinase domain containing protein 0.0165 0.255 0.0932
Entamoeba histolytica protein kinase, putative 0.0483 1 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0321 0.62 1
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0133 0.1785 1
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0076 0.0451 0.5
Brugia malayi Protein kinase domain containing protein 0.0165 0.255 0.0932
Entamoeba histolytica PH domain containing protein kinase, putative 0.0321 0.62 0.4899
Echinococcus multilocularis rac serine:threonine kinase 0.0321 0.62 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0317 0.6116 0.977
Trypanosoma brucei rac serine-threonine kinase, putative 0.0483 1 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0165 0.255 0.2196
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0483 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.0317 0.6116 0.977
Echinococcus granulosus serine threonine protein kinase nrc 0.0321 0.62 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0321 0.62 0.5
Loa Loa (eye worm) AGC/NDR protein kinase 0.0165 0.255 0.2196
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.255 0.2504
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.255 0.2504
Trichomonas vaginalis AGC family protein kinase 0.0165 0.255 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0483 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0321 0.62 1
Schistosoma mansoni serine/threonine-protein kinase 0.0321 0.62 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.255 0.2196
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0133 0.1785 1
Entamoeba histolytica protein kinase, putative 0.0483 1 1
Trichomonas vaginalis AGC family protein kinase 0.0483 1 1
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0133 0.1785 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.255 0.2504
Echinococcus multilocularis nervana 2 0.0317 0.6116 0.977
Schistosoma mansoni atypical protein kinase C 0.0165 0.255 0.2504
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0133 0.1785 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0483 1 1
Giardia lamblia Kinase, AGC PKA 0.0321 0.62 0.5
Trichomonas vaginalis AGC family protein kinase 0.0483 1 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0321 0.62 1
Echinococcus granulosus serine/threonine protein kinase 0.0321 0.62 1
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.255 0.2504
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0321 0.62 1
Entamoeba histolytica protein kinase, putative 0.0483 1 1
Trichomonas vaginalis AGC family protein kinase 0.0165 0.255 0.0111
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.255 0.2504
Brugia malayi protein kinase C II. 0.0165 0.255 0.0932
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.255 0.2504
Trichomonas vaginalis AGC family protein kinase 0.0483 1 1
Trichomonas vaginalis AGC family protein kinase 0.0483 1 1
Toxoplasma gondii AGC kinase 0.0483 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0133 0.1785 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0165 0.255 0.2196
Echinococcus multilocularis Glutaredoxin protein 5 0.0317 0.6116 0.977
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0321 0.62 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5.02 uM Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry ChEMBL. 20598554

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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