Detailed information for compound 844262

Basic information

Technical information
  • TDR Targets ID: 844262
  • Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methy lphenyl)methyl]piperidine-4-carboxamide
  • MW: 444.388 | Formula: C21H22BrN3OS
  • H donors: 1 H acceptors: 2 LogP: 5.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)c1nc2c(s1)cc(cc2)Br)NCc1ccc(cc1)C
  • InChi: 1S/C21H22BrN3OS/c1-14-2-4-15(5-3-14)13-23-20(26)16-8-10-25(11-9-16)21-24-18-7-6-17(22)12-19(18)27-21/h2-7,12,16H,8-11,13H2,1H3,(H,23,26)
  • InChiKey: ARLOYORVRQMBNG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]-4-piperidinecarboxamide
  • 1-(6-bromo-1,3-benzothiazol-2-yl)-N-(4-methylbenzyl)isonipecotamide

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) hypothetical protein 0.0111 0.0036 0.0272
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2378 0.1312 1
Echinococcus granulosus Niemann Pick C1 protein 0.0159 0.0063 0.0476
Plasmodium vivax sulfate transporter, putative 0.0517 0.0264 1
Loa Loa (eye worm) hypothetical protein 0.0883 0.047 0.3585
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0 0.0002
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0883 0.047 0.3585
Echinococcus granulosus expressed conserved protein 0.0104 0.0032 0.0243
Leishmania major carbonic anhydrase family protein, putative 0.4405 0.2454 1
Entamoeba histolytica carbonic anhydrase, putative 0.4405 0.2454 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0883 0.047 0.3585
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2378 0.1312 1
Schistosoma mansoni carbonic anhydrase-related 0.0883 0.047 0.1917
Loa Loa (eye worm) hypothetical protein 0.0058 0.0006 0.0046
Schistosoma mansoni carbonic anhydrase-related 0.0883 0.047 0.1917
Echinococcus granulosus Niemann Pick C1 protein 0.0111 0.0036 0.0272
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0883 0.047 0.3585
Chlamydia trachomatis sulfate transporter 0.0517 0.0264 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0883 0.047 0.1917
Echinococcus multilocularis Niemann Pick C1 protein 0.0159 0.0063 0.0476
Schistosoma mansoni hypothetical protein 0.0883 0.047 0.1917
Trichomonas vaginalis conserved hypothetical protein 1.7804 1 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.4405 0.2454 1
Echinococcus multilocularis expressed conserved protein 0.0104 0.0032 0.0243
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0163 0.0065 0.0266
Brugia malayi Niemann-Pick C1 protein precursor 0.0111 0.0036 0.0272
Echinococcus multilocularis carbonic anhydrase 0.0883 0.047 0.3585
Echinococcus granulosus histone acetyltransferase KAT2B 0.0159 0.0063 0.0477
Trypanosoma brucei carbonic anhydrase-like protein 0.2378 0.1312 1
Toxoplasma gondii hypothetical protein 0.0883 0.047 1
Echinococcus multilocularis protein dispatched 1 0.0054 0.0004 0.0029
Schistosoma mansoni carbonic anhydrase 0.4405 0.2454 1
Plasmodium falciparum carbonic anhydrase 0.0883 0.047 1
Echinococcus multilocularis carbonic anhydrase II 0.2378 0.1312 1
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0517 0.0264 0.5615
Mycobacterium tuberculosis Beta-carbonic anhydrase 1.5455 0.8677 1
Onchocerca volvulus 0.3245 0.18 0.5
Echinococcus granulosus carbonic anhydrase 0.0883 0.047 0.3585
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0883 0.047 0.3585
Echinococcus multilocularis carbonic anhydrase 0.0883 0.047 0.3585
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2378 0.1312 0.5348
Echinococcus granulosus carbonic anhydrase II 0.2378 0.1312 1
Trichomonas vaginalis conserved hypothetical protein 1.7804 1 1
Loa Loa (eye worm) hypothetical protein 0.0883 0.047 0.3585
Loa Loa (eye worm) carbonic anhydrase 3 0.2378 0.1312 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0883 0.047 0.3585
Schistosoma mansoni carbonic anhydrase 0.0883 0.047 0.1917
Echinococcus multilocularis Niemann Pick C1 protein 0.0111 0.0036 0.0272
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2378 0.1312 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0163 0.0065 0.0497
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2378 0.1312 0.5348
Brugia malayi acetyltransferase, GNAT family protein 0.0163 0.0065 0.0497
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0915 0.0488 0.372
Mycobacterium ulcerans carbonic anhydrase 0.4405 0.2454 0.2249
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.3748 0.2084 0.1263
Loa Loa (eye worm) acetyltransferase 0.0163 0.0065 0.0497
Onchocerca volvulus Putative sulfate transporter 0.3245 0.18 0.5
Echinococcus multilocularis carbonic anhydrase 0.0883 0.047 0.3585
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0883 0.047 0.3585
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2378 0.1312 1
Echinococcus granulosus carbonic anhydrase 0.0883 0.047 0.3585
Echinococcus granulosus carbonic anhydrase 0.0883 0.047 0.3585
Loa Loa (eye worm) hypothetical protein 0.0883 0.047 0.3585
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0113 0.0037 0.0149
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2378 0.1312 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.6097 0.3407 0.3016

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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