Detailed information for compound 212150

Basic information

Technical information
  • TDR Targets ID: 212150
  • Name: 1-(6-bromo-2,2-dimethyl-3H-1,4-benzothiazin-4 -yl)-2-chloroethanone
  • MW: 334.66 | Formula: C12H13BrClNOS
  • H donors: 0 H acceptors: 1 LogP: 3.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC(=O)N1CC(C)(C)Sc2c1cc(Br)cc2
  • InChi: 1S/C12H13BrClNOS/c1-12(2)7-15(11(16)6-14)9-5-8(13)3-4-10(9)17-12/h3-5H,6-7H2,1-2H3
  • InChiKey: RSZGQCGTFUHDRT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(6-bromo-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)-2-chloro-ethanone

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
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.254 0.4744
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.7773 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.1074 0.1708
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.2429 0.4749
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.2429 0.4749
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0087 0.4768 0.5514
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.254 0.4999
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.254 0.2985
Loa Loa (eye worm) glutathione reductase 0.0052 0.254 0.4744
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.2827 0.5642
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.012 0.6906 0.8705
Brugia malayi glutathione reductase 0.0052 0.254 0.5327
Entamoeba histolytica hypothetical protein 0.004 0.1725 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.7773 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Brugia malayi Cytochrome P450 family protein 0.0021 0.0529 0.111
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.2827 0.3369
Entamoeba histolytica hypothetical protein 0.004 0.1725 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.1273 0.1754
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.6906 0.8837
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Leishmania major trypanothione reductase 0.0052 0.254 1
Schistosoma mansoni hypothetical protein 0.004 0.1725 0.1458
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.0529 0.0484
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.6906 0.8837
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.2827 0.2616
Entamoeba histolytica hypothetical protein 0.004 0.1725 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0087 0.4768 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0313 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.2827 0.5642
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0313 0.0657
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.1725 0.3169
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Toxoplasma gondii hypothetical protein 0.003 0.1074 0.1708
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.6906 0.8837
Plasmodium vivax glutathione reductase, putative 0.0052 0.254 0.4999
Brugia malayi Cytochrome P450 family protein 0.0021 0.0529 0.111
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.254 0.4999
Schistosoma mansoni peptidase Clp (S14 family) 0.0087 0.4768 0.4599
Trypanosoma brucei cytochrome P450, putative 0.0021 0.0529 0.0969
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0087 0.4768 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.1725 0.3169
Leishmania major cytochrome p450-like protein 0.0021 0.0529 0.0969
Trypanosoma brucei trypanothione reductase 0.0052 0.254 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.2429 0.4749
Brugia malayi Thioredoxin reductase 0.0052 0.254 0.5327
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.6906 0.8837
Plasmodium falciparum thioredoxin reductase 0.0052 0.254 0.4999
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.2429 0.4482
Brugia malayi hypothetical protein 0.004 0.1725 0.3618
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.6906 0.8837
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0087 0.4768 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.7773 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Plasmodium falciparum glutathione reductase 0.0052 0.254 0.4999
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.254 0.4999
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2429 0.2184
Entamoeba histolytica hypothetical protein 0.004 0.1725 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.254 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.1074 0.1708
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.2827 0.3369
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0087 0.4768 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2429 0.2184
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0529 0.0969
Brugia malayi Cytochrome P450 family protein 0.0033 0.1273 0.2669
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0313 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.1074 0.1708
Brugia malayi Probable ClpP-like protease 0.0087 0.4768 1
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0313 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2429 0.2184
Loa Loa (eye worm) hypothetical protein 0.0087 0.4768 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.2429 0.5094
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0529 0.0969
Toxoplasma gondii thioredoxin reductase 0.0052 0.254 0.4999
Schistosoma mansoni transcription factor LCR-F1 0.004 0.1725 0.1458
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.2429 0.4749
Mycobacterium tuberculosis Probable reductase 0.012 0.6906 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.7773 1

Activities

Activity type Activity value Assay description Source Reference
Emax (functional) = 43 % In vitro maximal vasorelaxing effect evoked on endothelium-denuded rat aortic rings in the presence of 1 uM glibenclamide ChEMBL. 12904071
NC (functional) 0 In vitro vasorelaxing effect evoked on endothelium-denuded rat aortic rings expressed as potency , parameter could not be calculated due to low efficacy ChEMBL. 12904071

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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