Detailed information for compound 846313

Basic information

Technical information
  • TDR Targets ID: 846313
  • Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(3- methylphenyl)methyl]piperidine-4-carboxamide
  • MW: 393.545 | Formula: C23H27N3OS
  • H donors: 1 H acceptors: 2 LogP: 5.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)CNC(=O)C1CCN(CC1)c1nc2c(s1)cc(cc2C)C
  • InChi: 1S/C23H27N3OS/c1-15-5-4-6-18(12-15)14-24-22(27)19-7-9-26(10-8-19)23-25-21-17(3)11-16(2)13-20(21)28-23/h4-6,11-13,19H,7-10,14H2,1-3H3,(H,24,27)
  • InChiKey: GYGFPEJERGMVHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(3-methylphenyl)methyl]-4-piperidinecarboxamide
  • 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-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
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0026 0.0006
Mycobacterium leprae PROBABLE TRANSFERASE 0.0068 0.0234 0.0245
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.002 0.0031
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0026 0.0009
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1038 0.6775 1
Echinococcus multilocularis carbonic anhydrase 0.0473 0.2965 0.436
Schistosoma mansoni carbonic anhydrase 0.0473 0.2965 0.3091
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1038 0.6775 1
Entamoeba histolytica acetyltransferase, putative 0.007 0.0252 0.0237
Mycobacterium tuberculosis Conserved protein 0.0036 0.002 0.0031
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.002 0.0031
Brugia malayi Inositol-1 0.0037 0.0026 0.0009
Echinococcus granulosus carbonic anhydrase 0.0473 0.2965 0.436
Mycobacterium leprae Probable lipase LipE 0.0036 0.002 0.0021
Mycobacterium tuberculosis Possible siderophore-binding protein 0.004 0.005 0.0078
Loa Loa (eye worm) carbonic anhydrase 3 0.1038 0.6775 0.9738
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0026 0.0006
Entamoeba histolytica ankyrin, putative 0.007 0.0252 0.0237
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1038 0.6775 0.9738
Onchocerca volvulus 0.0068 0.0234 0.1885
Schistosoma mansoni inositol monophosphatase 0.0037 0.0026 0.0007
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0026 0.0006
Loa Loa (eye worm) RNA binding protein 0.0063 0.0204 0.0265
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0779 0.5028 0.7928
Schistosoma mansoni inositol monophosphatase 0.0037 0.0026 0.0007
Echinococcus granulosus carbonic anhydrase 0.0473 0.2965 0.436
Schistosoma mansoni carbonic anhydrase-related 0.0473 0.2965 0.3091
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.002 0.0031
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1038 0.6775 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0026 0.0009
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.004 0.005 0.0025
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0026 0.0007
Mycobacterium leprae conserved hypothetical protein 0.0036 0.002 0.0021
Schistosoma mansoni hypothetical protein 0.0473 0.2965 0.3091
Mycobacterium leprae Probable transmembrane transport protein 0.0236 0.1369 0.1434
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.002 0.0031
Brugia malayi RNA binding protein 0.0063 0.0204 0.0272
Echinococcus granulosus carbonic anhydrase II 0.1038 0.6775 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0473 0.2965 0.436
Mycobacterium ulcerans carbonic anhydrase 0.1449 0.9547 0.9546
Onchocerca volvulus Putative sulfate transporter 0.0204 0.1156 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.005 0.0044
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0473 0.2965 0.436
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0204 0.0272
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.007 0.0252 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.1325 0.209
Onchocerca volvulus 0.0204 0.1156 1
Echinococcus multilocularis carbonic anhydrase II 0.1038 0.6775 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0473 0.2965 0.436
Trichomonas vaginalis conserved hypothetical protein 0.1517 1 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0204 0.0272
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0204 0.0193
Echinococcus granulosus dynactin 5 p25 0.007 0.0252 0.0344
Trypanosoma brucei hypothetical protein, conserved 0.004 0.005 0.0044
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.007 0.0252 0.0397
Mycobacterium tuberculosis Conserved protein 0.0036 0.002 0.0031
Leishmania major carbonic anhydrase family protein, putative 0.1449 0.9547 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0473 0.2965 0.4246
Loa Loa (eye worm) inositol-1 0.0037 0.0026 0.0009
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0204 0.0265
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1449 0.9547 1
Loa Loa (eye worm) hypothetical protein 0.1065 0.6956 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.002 0.0031
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1038 0.6775 0.709
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0204 0.0193
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0026 0.0009
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0236 0.1369 0.2159
Plasmodium vivax hypothetical protein, conserved 0.0036 0.002 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1038 0.6775 1
Brugia malayi TAR-binding protein 0.0063 0.0204 0.0272
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.002 0.0031
Loa Loa (eye worm) hypothetical protein 0.0473 0.2965 0.4246
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0234 0.0215
Toxoplasma gondii hypothetical protein 0.0473 0.2965 1
Wolbachia endosymbiont of Brugia malayi carbonic anhydrase 0.004 0.005 0.1046
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0204 0.0265
Echinococcus granulosus carbonic anhydrase 0.0473 0.2965 0.436
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0473 0.2965 0.436
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0204 0.0193
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0026 0.0009
Mycobacterium ulcerans transferase 0.0068 0.0234 0.0215
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0026 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.1517 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0204 0.0193
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0204 0.0193
Leishmania major hypothetical protein, conserved 0.004 0.005 0.0031
Trypanosoma brucei carbonic anhydrase-like protein 0.1038 0.6775 1
Schistosoma mansoni carbonic anhydrase-related 0.0473 0.2965 0.3091
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0068 0.0234 0.0215
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0907 0.5889 0.9286
Mycobacterium tuberculosis Conserved protein 0.0036 0.002 0.0031
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.005 0.0044
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0026 0.0006
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0026 0.0009
Leishmania major carbonic anhydrase-like protein 0.1038 0.6775 0.709
Schistosoma mansoni carbonic anhydrase-related 0.0473 0.2965 0.3091
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1038 0.6775 0.709
Schistosoma mansoni carbonic anhydrase 0.1449 0.9547 1
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.007 0.0252 1
Entamoeba histolytica carbonic anhydrase, putative 0.1449 0.9547 1
Loa Loa (eye worm) hypothetical protein 0.0473 0.2965 0.4246
Plasmodium falciparum carbonic anhydrase 0.0473 0.2965 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.002 0.0031
Echinococcus multilocularis carbonic anhydrase 0.0473 0.2965 0.436
Mycobacterium ulcerans hypothetical protein 0.004 0.005 0.003
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0473 0.2965 0.436
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0204 0.0272
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0974 0.6342 1
Echinococcus multilocularis carbonic anhydrase 0.0473 0.2965 0.436

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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