Detailed information for compound 1809369

Basic information

Technical information
  • TDR Targets ID: 1809369
  • Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-tert-bu tylbenzamide
  • MW: 386.509 | Formula: C24H22N2OS
  • H donors: 1 H acceptors: 2 LogP: 6.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)c1nc2c(s1)cccc2
  • InChi: 1S/C24H22N2OS/c1-24(2,3)18-12-8-16(9-13-18)22(27)25-19-14-10-17(11-15-19)23-26-20-6-4-5-7-21(20)28-23/h4-15H,1-3H3,(H,25,27)
  • InChiKey: GJEYHPFYHFUESX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butyl-benzamide
  • Oprea1_441740
  • Oprea1_502365

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
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2209 0.4709 0.4708
Plasmodium vivax histone deacetylase, putative 0.079 0.1612 0.8631
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0822 0.1682 0.2257
Trypanosoma brucei histone deacetylase 2 0.0384 0.0726 0.0944
Brugia malayi fructose-1,6-bisphosphatase 0.2209 0.4709 0.4709
Onchocerca volvulus Huntingtin homolog 0.0121 0.0154 0.0847
Echinococcus granulosus histone deacetylase 1 0.0907 0.1868 0.1867
Loa Loa (eye worm) hypothetical protein 0.0055 0.001 0.0009
Brugia malayi Immunoglobulin I-set domain containing protein 0.0931 0.192 0.1919
Echinococcus granulosus histone deacetylase 6 0.0808 0.1652 0.1651
Echinococcus granulosus histone deacetylase 6 0.079 0.1612 0.1611
Schistosoma mansoni cell adhesion molecule 0.008 0.0063 0.0061
Onchocerca volvulus Tyrosine kinase homolog 0.0872 0.1791 1
Plasmodium falciparum histone deacetylase 2 0.079 0.1612 0.8603
Loa Loa (eye worm) hypothetical protein 0.0173 0.0267 0.0266
Brugia malayi ephrin receptor 1 precursor 0.0119 0.0148 0.0147
Echinococcus granulosus histone deacetylase 7 0.079 0.1612 0.1611
Loa Loa (eye worm) hypothetical protein 0.0384 0.0726 0.0725
Echinococcus granulosus defective proboscis extension response 0.0055 0.001 0.0009
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0803 0.1642 0.1641
Brugia malayi Immunoglobulin I-set domain containing protein 0.0062 0.0024 0.0023
Leishmania major histone deacetylase, putative 0.0907 0.1868 0.2513
Trypanosoma cruzi histone deacetylase, putative 0.079 0.1612 0.2162
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0068 0.0038 0.0037
Loa Loa (eye worm) TK/INSR protein kinase 0.1488 0.3136 0.3136
Schistosoma mansoni nephrin 0.0076 0.0055 0.0052
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0073 0.0049 0.0048
Trypanosoma cruzi histone deacetylase, putative 0.0384 0.0726 0.0944
Schistosoma mansoni tyrosine kinase 0.2495 0.5333 0.5332
Echinococcus multilocularis histone deacetylase 6 0.079 0.1612 0.1611
Giardia lamblia Kinase, CMGC MAPK 0.3405 0.7319 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.0154 0.0153
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0052 0.0002 0.0001
Echinococcus granulosus Immunoglobulin 0.0055 0.001 0.0009
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2209 0.4709 0.6415
Loa Loa (eye worm) hypothetical protein 0.0907 0.1868 0.1867
Trypanosoma brucei histone deacetylase, putative 0.079 0.1612 0.2162
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1495 0.3151 0.315
Brugia malayi Histone deacetylase 1 0.0907 0.1868 0.1867
Brugia malayi Histone deacetylase family protein 0.079 0.1612 0.1611
Echinococcus multilocularis histone deacetylase 6 0.0808 0.1652 0.1651
Entamoeba histolytica histone deacetylase, putative 0.0907 0.1868 1
Schistosoma mansoni histone deacetylase 4 5 0.079 0.1612 0.161
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.3405 0.7319 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1495 0.3151 0.315
Echinococcus granulosus epidermal growth factor receptor 0.4634 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0049 0.0048
Trichomonas vaginalis CMGC family protein kinase 0.3405 0.7319 1
Echinococcus granulosus ephrin type A receptor 4 A 0.021 0.0348 0.0347
Trypanosoma cruzi histone deacetylase, putative 0.079 0.1612 0.2162
Schistosoma mansoni serine/threonine protein kinase 0.3405 0.7319 0.7319
Onchocerca volvulus 0.082 0.1679 0.9374
Onchocerca volvulus Histone deacetylase 10 homolog 0.0384 0.0726 0.4045
Echinococcus multilocularis histone deacetylase 3 0.0907 0.1868 0.1867
Trichomonas vaginalis CMGC family protein kinase 0.3405 0.7319 1
Echinococcus multilocularis Immunoglobulin 0.0055 0.001 0.0009
Toxoplasma gondii histone deacetylase HDAC2 0.0907 0.1868 0.2513
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2209 0.4709 0.4709
Trypanosoma brucei histone deacetylase 1 0.0907 0.1868 0.2513
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.3405 0.7319 1
Schistosoma mansoni tyrosine kinase 0.2495 0.5333 0.5332
Echinococcus multilocularis activin receptor type 0.0068 0.0038 0.0037
Loa Loa (eye worm) hypothetical protein 0.0424 0.0815 0.0814
Schistosoma mansoni tyrosine kinase 0.1488 0.3136 0.3135
Echinococcus granulosus tyrosine protein kinase Lyn 0.0074 0.0051 0.005
Echinococcus multilocularis 0.1431 0.3011 0.301
Onchocerca volvulus 0.0173 0.0267 0.148
Trichomonas vaginalis CMGC family protein kinase 0.3405 0.7319 1
Echinococcus multilocularis Immunoglobulin 0.0055 0.001 0.0009
Plasmodium vivax histone deacetylase 2, putative 0.079 0.1612 0.8631
Brugia malayi protein unc-22 0.0052 0.0002 0.0001
Onchocerca volvulus Huntingtin homolog 0.0121 0.0154 0.0847
Schistosoma mansoni tyrosine kinase 0.1488 0.3136 0.3135
Loa Loa (eye worm) histone deacetylase 3 0.0907 0.1868 0.1867
Echinococcus granulosus roundabout 2 0.0094 0.0094 0.0093
Toxoplasma gondii fructose-bisphospatase I 0.0822 0.1682 0.2257
Brugia malayi Histone deacetylase family protein 0.079 0.1612 0.1611
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.3405 0.7319 1
Schistosoma mansoni protein kinase 0.0068 0.0038 0.0036
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.3405 0.7319 0.7319
Echinococcus multilocularis mitogen activated protein kinase 3 0.3405 0.7319 0.7319
Trypanosoma cruzi histone deacetylase 1, putative 0.0907 0.1868 0.2513
Echinococcus granulosus activin receptor type 0.0068 0.0038 0.0037
Echinococcus multilocularis histone deacetylase 6 0.079 0.1612 0.1611
Echinococcus multilocularis insulin receptor 0.1488 0.3136 0.3136
Loa Loa (eye worm) hypothetical protein 0.0088 0.0081 0.008
Schistosoma mansoni tyrosine kinase 0.4634 1 1
Leishmania major histone deacetylase, putative 0.0907 0.1868 0.2513
Trypanosoma brucei histone deacetylase 3 0.079 0.1612 0.2162
Loa Loa (eye worm) hypothetical protein 0.0121 0.0154 0.0153
Schistosoma mansoni histone deacetylase 1 2 3 0.0384 0.0726 0.0724
Loa Loa (eye worm) hypothetical protein 0.0406 0.0775 0.0774
Echinococcus granulosus insulin receptor 0.1488 0.3136 0.3136
Trypanosoma brucei histone deacetylase 4 0.079 0.1612 0.2162
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0002 0.0001
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2209 0.4709 0.4709
Echinococcus granulosus mitogen activated protein kinase 0.3405 0.7319 0.7319
Brugia malayi histone deacetylase 11 0.0384 0.0726 0.0725
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0426 0.0819 0.0818
Echinococcus multilocularis epidermal growth factor receptor 0.4634 1 1
Trypanosoma brucei protein kinase, putative 0.3405 0.7319 1
Schistosoma mansoni tyrosine kinase 0.2458 0.5252 0.525
Echinococcus multilocularis neuroglian 0.0069 0.0041 0.0039
Toxoplasma gondii histone deacetylase HDAC4 0.0384 0.0726 0.0944
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0055 0.001 0.0009
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2209 0.4709 0.6415
Loa Loa (eye worm) histone deacetylase 11 0.0384 0.0726 0.0725
Echinococcus granulosus histone deacetylase 0.079 0.1612 0.1611
Brugia malayi Protein kinase domain containing protein 0.0426 0.0819 0.0818
Brugia malayi hypothetical protein 0.0062 0.0024 0.0023
Echinococcus multilocularis roundabout 2 0.0094 0.0094 0.0093
Leishmania major histone deacetylase, putative 0.079 0.1612 0.2162
Plasmodium falciparum histone deacetylase 1 0.0907 0.1868 1
Brugia malayi histone deacetylase 3 (HD3) 0.0907 0.1868 0.1867
Brugia malayi histone deacetylase 1 (HD1) 0.0907 0.1868 0.1867
Echinococcus multilocularis ephrin type A receptor 4 A 0.021 0.0348 0.0347
Schistosoma mansoni ephrin receptor 0.021 0.0348 0.0346
Loa Loa (eye worm) TK/EPH protein kinase 0.0258 0.0452 0.0451
Echinococcus granulosus epidermal growth factor receptor 0.2495 0.5333 0.5332
Loa Loa (eye worm) CAMK protein kinase 0.0052 0.0002 0.0001
Plasmodium falciparum histone deacetylase, putative 0.079 0.1612 0.8603
Loa Loa (eye worm) hypothetical protein 0.0055 0.001 0.0009
Toxoplasma gondii histone deacetylase HDAC3 0.0907 0.1868 0.2513
Toxoplasma gondii histone deacetylase HDAC1 0.079 0.1612 0.2162
Toxoplasma gondii fructose-bisphospatase II 0.2209 0.4709 0.6415
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0055 0.001 0.0007
Echinococcus granulosus histone deacetylase 6 0.079 0.1612 0.1611
Brugia malayi MAP kinase sur-1 0.3405 0.7319 0.7319
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0055 0.001 0.0007
Brugia malayi Fibronectin type III domain containing protein 0.0062 0.0024 0.0023
Schistosoma mansoni protein kinase 0.0068 0.0038 0.0036
Loa Loa (eye worm) hypothetical protein 0.0055 0.001 0.0009
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2209 0.4709 0.6415
Echinococcus multilocularis titin 0.0052 0.0002 0.0001
Echinococcus multilocularis histone deacetylase 1 0.0907 0.1868 0.1867
Loa Loa (eye worm) hypothetical protein 0.0062 0.0024 0.0023
Schistosoma mansoni histone deacetylase hda2 0.0384 0.0726 0.0724
Loa Loa (eye worm) TK/EGFR protein kinase 0.4634 1 1
Loa Loa (eye worm) histone deacetylase 1 0.0907 0.1868 0.1867
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.007 0.0042 0.0041
Schistosoma mansoni vesicular amine transporter 0.0055 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.0062 0.0024 0.0023
Loa Loa (eye worm) histone deacetylase 7A 0.079 0.1612 0.1611
Echinococcus multilocularis histone deacetylase 7 0.079 0.1612 0.1611
Echinococcus granulosus histone deacetylase 3 0.0907 0.1868 0.1867
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0822 0.1682 0.2257
Echinococcus multilocularis histone deacetylase 0.079 0.1612 0.1611
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.3405 0.7319 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2209 0.4709 0.4709
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.3405 0.7319 1
Schistosoma mansoni tyrosine kinase 0.2458 0.5252 0.525
Trichomonas vaginalis CMGC family protein kinase 0.3405 0.7319 1
Leishmania major 0.2209 0.4709 0.6415
Echinococcus granulosus neuroglian 0.0069 0.0041 0.0039
Trypanosoma cruzi histone deacetylase, putative 0.0384 0.0726 0.0944
Echinococcus granulosus histone deacetylase 8 0.0384 0.0726 0.0725
Echinococcus multilocularis histone deacetylase 8 0.0384 0.0726 0.0725
Plasmodium vivax histone deacetylase, putative 0.0384 0.0726 0.3886
Echinococcus granulosus twitchin 0.0101 0.0109 0.0108
Echinococcus multilocularis epidermal growth factor receptor 0.2495 0.5333 0.5332
Schistosoma mansoni histone deacetylase 0.0907 0.1868 0.1866
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0822 0.1682 0.2257
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0822 0.1682 0.2257
Schistosoma mansoni histone deacetylase 0.0907 0.1868 0.1866
Toxoplasma gondii histone deacetylase HDAC5 0.0384 0.0726 0.0944
Loa Loa (eye worm) hypothetical protein 0.0062 0.0024 0.0023
Loa Loa (eye worm) histone deacetylase 0.079 0.1612 0.1611
Trypanosoma cruzi histone deacetylase, putative 0.079 0.1612 0.2162
Schistosoma mansoni histone deacetylase 4 5 0.079 0.1612 0.161
Schistosoma mansoni tyrosine kinase 0.2458 0.5252 0.525
Echinococcus granulosus titin 0.0052 0.0002 0.0001
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0068 0.0038 0.0037
Loa Loa (eye worm) hypothetical protein 0.0087 0.008 0.0079
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.2495 0.5333 0.5332
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.3405 0.7319 1
Schistosoma mansoni protein kinase 0.0068 0.0038 0.0036
Leishmania major histone deacetylase, putative 0.079 0.1612 0.2162
Plasmodium vivax histone deacetylase 1, putative 0.0907 0.1868 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.3405 0.7319 1
Schistosoma mansoni tyrosine kinase 0.0069 0.004 0.0038
Echinococcus multilocularis mitogen activated protein kinase 0.3405 0.7319 0.7319
Brugia malayi Protein kinase domain containing protein 0.1488 0.3136 0.3136
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0931 0.192 0.1919
Echinococcus granulosus mitogen activated protein kinase 3 0.3405 0.7319 0.7319
Trypanosoma cruzi histone deacetylase 1, putative 0.0907 0.1868 0.2513
Schistosoma mansoni histone deacetylase hda2 0.0808 0.1652 0.165
Brugia malayi hypothetical protein 0.0121 0.0154 0.0153
Echinococcus granulosus titin 0.0052 0.0002 0.0001
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.3405 0.7319 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.008 0.0079

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 after 48 hr by CLSI broth microdilution method ChEMBL. No reference
MIC (functional) = 25 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 24 hr by CLSI broth microdilution method ChEMBL. No reference
MIC (functional) = 50 ug ml-1 Antibacterial activity against Escherichia coli producing extended spectrum beta lactamase enzyme after 24 hr by CLSI broth microdilution method ChEMBL. No reference

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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