Detailed information for compound 872415

Basic information

Technical information
  • TDR Targets ID: 872415
  • Name: N-(3-chlorophenyl)-2-ethyl-2,3-dihydro-1,4-be nzothiazine-4-carboxamide
  • MW: 332.848 | Formula: C17H17ClN2OS
  • H donors: 1 H acceptors: 1 LogP: 4.54 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1Sc2ccccc2N(C1)C(=O)Nc1cccc(c1)Cl
  • InChi: 1S/C17H17ClN2OS/c1-2-14-11-20(15-8-3-4-9-16(15)22-14)17(21)19-13-7-5-6-12(18)10-13/h3-10,14H,2,11H2,1H3,(H,19,21)
  • InChiKey: NVNPJFNBOKGKCL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0284 0.0239
Echinococcus multilocularis peptidase Clp (S14 family) 0.0105 0.0613 0.057
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0161 0.1016 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0027 0.0044 0.0068
Brugia malayi Pre-SET motif family protein 0.006 0.0284 0.0891
Plasmodium vivax SET domain protein, putative 0.006 0.0284 0.2585
Schistosoma mansoni peptidase Clp (S14 family) 0.0161 0.1016 0.0974
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.004 0.0057
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.017 0.409
Trypanosoma brucei glucosidase, putative 0.0073 0.0376 1
Trypanosoma brucei glycosyl hydrolase-like protein 0.0027 0.0044 0.117
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0376 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0044 0.0068
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Onchocerca volvulus 0.019 0.1225 0.3615
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0046 0.0061
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0268 0.0223
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0028 0.0757
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0088 0.0201
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0044 0.0068
Schistosoma mansoni alpha-glucosidase 0.0282 0.1898 0.1861
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0057 0.0108
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0284 0.0239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0022 0.0001
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0105 0.0613 0.4744
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0044 0.0068
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.017 0.409
Onchocerca volvulus Dual oxidase homolog 0.0027 0.0046 0.0006
Echinococcus granulosus peptidase Clp S14 family 0.0105 0.0613 0.057
Loa Loa (eye worm) hypothetical protein 0.0242 0.1603 0.5502
Brugia malayi Peroxidasin 0.0027 0.0046 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0104 0.0252
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0046 0.0061
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0161 0.1016 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.017 0.3814
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0038 0.0052
Schistosoma mansoni polycystin 1-related 0.009 0.0499 0.0455
Echinococcus multilocularis neutral alpha glucosidase AB 0.0073 0.0376 0.0331
Schistosoma mansoni survival motor neuron protein 0.0049 0.0205 0.016
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.1603 0.1564
Brugia malayi Pre-SET motif family protein 0.0419 0.2891 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0073 0.0376 0.1077
Brugia malayi Glycosyl hydrolases family 31 protein 0.0027 0.0044 0.0054
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.017 0.409
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0284 0.0239
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0105 0.2192
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0161 0.1016 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0027 0.0046 0.0006
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0161 0.1016 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0123 0.0309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0088 0.0201
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0027 0.0044 0.0446
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0376 0.1077
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0046 0.0061
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0044 0.0068
Schistosoma mansoni microtubule-associated protein tau 0.1398 1 1
Brugia malayi Blistered cuticle protein 3 0.0027 0.0046 0.0061
Echinococcus granulosus neutral alpha glucosidase AB 0.0073 0.0376 0.0331
Onchocerca volvulus 0.0027 0.0046 0.0006
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Echinococcus multilocularis lysosomal alpha glucosidase 0.0328 0.223 0.2194
Onchocerca volvulus Peroxidase homolog 0.0027 0.0046 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0284 0.0239
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Trichomonas vaginalis set domain proteins, putative 0.0477 0.3311 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0376 0.1077
Echinococcus granulosus tumor protein p63 0.0681 0.4789 0.4765
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.017 0.4537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0022 0.0001
Trichomonas vaginalis alpha-glucosidase, putative 0.0027 0.0044 0.0068
Loa Loa (eye worm) hypothetical protein 0.01 0.057 0.1893
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0419 0.2891 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0105 0.0613 0.5
Onchocerca volvulus 0.0027 0.0046 0.0006
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0161 0.1016 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0073 0.0376 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.017 0.0125
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.1603 0.1564
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0104 0.0252
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0161 0.1016 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0105 0.2783
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0284 0.2585
Brugia malayi Probable ClpP-like protease 0.0161 0.1016 0.3448
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0104 0.0252
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0046 0.0061
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0161 0.1016 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0073 0.0376 0.1077
Echinococcus granulosus lysosomal alpha glucosidase 0.0328 0.223 0.2194
Schistosoma mansoni alpha glucosidase 0.0073 0.0376 0.0331
Brugia malayi hypothetical protein 0.0027 0.0046 0.0061
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.1021 0.726 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0161 0.1016 0.0974
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0161 0.1016 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0027 0.0046 0.0061
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.017 0.0125
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.017 0.0496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0038 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0088 0.0201
Echinococcus multilocularis tumor protein p63 0.0681 0.4789 0.4765
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0055 0.025 0.224
Giardia lamblia GTOR 0.0045 0.017 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.017 0.4537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.004 0.0057
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0027 0.0044 0.0446
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0046 0.0061
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Trichomonas vaginalis maltase-glucoamylase, putative 0.0027 0.0044 0.0068
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.0376 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0161 0.1016 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0044 0.0054
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0046 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.017 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0104 0.0252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.017 0.0453
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0027 0.0044 0.0068
Onchocerca volvulus 0.01 0.057 0.1611
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0046 0.0061
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0073 0.0376 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0328 0.223 0.7691
Loa Loa (eye worm) hypothetical protein 0.0161 0.1016 0.3448
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0073 0.0376 0.3519
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.017 0.3814
Brugia malayi Glycosyl hydrolases family 31 protein 0.0073 0.0376 0.1213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0088 0.0201
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.017 0.409
Onchocerca volvulus 0.0049 0.0205 0.0494
Schistosoma mansoni cellular tumor antigen P53 0.01 0.057 0.0527
Schistosoma mansoni hypothetical protein 0.0049 0.0205 0.016
Onchocerca volvulus 0.0477 0.3311 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0328 0.223 0.2194
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0022 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.004 0.0057
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0205 0.0618
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0046 0.0061
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0073 0.0376 0.1213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0088 0.0201
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0284 0.0239
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0284 0.0239
Onchocerca volvulus 0.006 0.0284 0.0733
Onchocerca volvulus Peroxidasin homolog 0.0027 0.0046 0.0006
Brugia malayi Glycosyl hydrolases family 31 protein 0.0328 0.223 0.7691
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0376 0.1077
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0161 0.1016 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0161 0.1016 0.0974
Onchocerca volvulus Peroxidase homolog 0.0027 0.0046 0.0006
Echinococcus multilocularis microtubule associated protein 2 0.1398 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0055 0.025 0.224
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0376 0.1077
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0088 0.0599
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.017 0.0125
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0284 0.0239
Loa Loa (eye worm) hypothetical protein 0.006 0.0284 0.0891
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0105 0.0613 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.017 0.0453
Leishmania major glycosyl hydrolase-like protein 0.0027 0.0044 0.0446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0088 0.0201
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0064 0.0129
Onchocerca volvulus 0.0027 0.0046 0.0006
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0105 0.2192
Leishmania major alpha glucosidase II subunit, putative 0.0073 0.0376 1
Toxoplasma gondii hypothetical protein 0.0055 0.025 0.224
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Loa Loa (eye worm) hypothetical protein 0.0027 0.0046 0.0061
Trichomonas vaginalis sucrase-isomaltase, putative 0.0073 0.0376 0.1077
Trichomonas vaginalis alpha-glucosidase, putative 0.0073 0.0376 0.1077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0022 0.0001
Brugia malayi hypothetical protein 0.0242 0.1603 0.5502
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0104 0.0252
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0046 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0088 0.0201
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0073 0.0376 0.1077
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.017 0.0496
Onchocerca volvulus Peroxidasin homolog 0.0027 0.0046 0.0006
Schistosoma mansoni alpha-glucosidase 0.0282 0.1898 0.1861

Activities

No activities found for this compound.

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

No literature references available for this target.

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