Detailed information for compound 1813129

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.203 | Formula: C12H9Cl2N5O3S
  • H donors: 1 H acceptors: 5 LogP: 2.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccn2c(n1)nc(n2)S(=O)(=O)Nc1cccc(c1Cl)Cl
  • InChi: 1S/C12H9Cl2N5O3S/c1-22-9-5-6-19-11(15-9)16-12(17-19)23(20,21)18-8-4-2-3-7(13)10(8)14/h2-6,18H,1H3
  • InChiKey: ALPOTYZYEKCUEM-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
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans hypothetical protein 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
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 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) ILVBL protein Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans 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 ulcerans putative oxalyl-CoA decarboxylase 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 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
Loa Loa (eye worm) thiamine pyrophosphate enzyme 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 tuberculosis Probable oxalyl-CoA decarboxylase OxcA 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
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid 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
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0133 0.2333 0.1853
Mycobacterium ulcerans acetolactate synthase 0.0076 0.1029 0.078
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0467 1 1
Schistosoma mansoni dihydrofolate reductase 0.0467 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0208 0.4069 1
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0076 0.1029 0.078
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0208 0.4069 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0133 0.2333 0.1853
Loa Loa (eye worm) transcription factor SMAD2 0.0088 0.1306 0.0305
Echinococcus multilocularis dihydrofolate reductase 0.0467 1 1
Loa Loa (eye worm) ILVBL protein 0.008 0.113 0.011
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0208 0.4069 1
Onchocerca volvulus 0.0031 0 0.5
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0076 0.1029 0.078
Loa Loa (eye worm) dihydrofolate reductase 0.0467 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0208 0.4069 1
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0133 0.2333 0.212
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0208 0.4069 0.5
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0467 1 1
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0133 0.2333 0.2333
Echinococcus granulosus dihydrofolate reductase 0.0467 1 1
Schistosoma mansoni acetolactate synthase 0.0114 0.1889 0.1889
Loa Loa (eye worm) MH2 domain-containing protein 0.0088 0.1306 0.0305
Brugia malayi Dihydrofolate reductase 0.0467 1 1
Brugia malayi hypothetical protein 0.0153 0.2793 0.2793
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0076 0.1029 0.1998
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0133 0.2333 0.212
Mycobacterium ulcerans hypothetical protein 0.0133 0.2333 0.212
Schistosoma mansoni acetolactate synthase 0.0114 0.1889 0.1889
Loa Loa (eye worm) hypothetical protein 0.0153 0.2793 0.1964
Chlamydia trachomatis dihydrofolate reductase 0.0467 1 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0208 0.4069 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0467 1 1
Brugia malayi MH2 domain containing protein 0.0088 0.1306 0.1306

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 14.8 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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