Detailed information for compound 895570

Basic information

Technical information
  • TDR Targets ID: 895570
  • Name: 1-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl -1,3-thiazol-5-yl]piperidine-4-carboxamide
  • MW: 457.587 | Formula: C18H23N3O5S3
  • H donors: 1 H acceptors: 6 LogP: 2.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)c1sc(c(n1)S(=O)(=O)c1ccc(cc1)C)N1CCC(CC1)C(=O)N
  • InChi: 1S/C18H23N3O5S3/c1-3-28(23,24)18-20-16(29(25,26)14-6-4-12(2)5-7-14)17(27-18)21-10-8-13(9-11-21)15(19)22/h4-7,13H,3,8-11H2,1-2H3,(H2,19,22)
  • InChiKey: CTFHVKDTRORMLG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-thiazol-5-yl]piperidine-4-carboxamide
  • 1-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-5-thiazolyl]-4-piperidinecarboxamide
  • 1-[2-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-thiazol-5-yl]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 high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma cruzi adenylate kinase, putative 0.0044 0.0188 0.2421
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0082 0.0777 0.0719
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0672 1 1
Schistosoma mansoni P2X receptor subunit 0.0292 0.406 0.4023
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0777 1
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0777 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Loa Loa (eye worm) hypothetical protein 0.0672 1 1
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0082 0.0777 0.0719
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0777 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0777 0.0719
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.059 0.8722 0.8714
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0082 0.0777 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0082 0.0777 0.0719
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0082 0.0777 1
Echinococcus granulosus adenylate kinase 2 mitochondrial 0.0044 0.0188 0.0126
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0384 0.5499 0.5471
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0672 1 1
Toxoplasma gondii adenylate kinase, putative 0.0044 0.0188 0.0126
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.059 0.8722 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0672 1 1
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0082 0.0777 1
Treponema pallidum adenylate kinase (adk) 0.0044 0.0188 0.5
Leishmania major cAMP-specific phosphodiesterase, putative 0.0082 0.0777 1
Echinococcus granulosus p2X purinoceptor 4 0.0292 0.406 0.4023
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Plasmodium falciparum adenylate kinase 0.0044 0.0188 0.0231
Echinococcus multilocularis adenylate kinase 2, mitochondrial 0.0044 0.0188 0.0126
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 0.1314
Schistosoma mansoni adenylate kinase 0.0117 0.1324 0.127
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.059 0.8722 0.8714
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Echinococcus multilocularis p2X purinoceptor 4 0.0292 0.406 0.4023
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0044 0.0188 0.1759
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Echinococcus multilocularis p2X purinoceptor 4 0.0292 0.406 0.4023
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0082 0.0777 0.0719
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0672 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0082 0.0777 0.0719
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0082 0.0777 0.0719
Echinococcus multilocularis p2X purinoceptor 4 0.0292 0.406 0.4023
Echinococcus granulosus p2X purinoceptor 4 0.0292 0.406 0.4023
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0777 1
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0082 0.0777 0.0719
Loa Loa (eye worm) hypothetical protein 0.0082 0.0777 0.0719
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0082 0.0777 0.1314
Plasmodium vivax adenylate kinase 2, putative 0.0044 0.0188 0.1759
Echinococcus granulosus p2X purinoceptor 4 0.0292 0.406 0.4023
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0082 0.0777 0.0719
Schistosoma mansoni P2X receptor subunit 0.0292 0.406 0.4023
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 0.1314
Loa Loa (eye worm) PDE1B protein 0.0082 0.0777 0.0719
Leishmania major hypothetical protein, conserved 0.0082 0.0777 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0082 0.0777 0.0825
Loa Loa (eye worm) hypothetical protein 0.0082 0.0777 0.0719
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0672 1 1
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0082 0.0777 0.0719
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma brucei nucleoside phosphatase, putative 0.0036 0.0062 0.0803
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0082 0.0777 0.0719
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0082 0.0777 1
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0082 0.0777 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma brucei hypothetical protein, conserved 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0082 0.0777 0.0719
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0082 0.0777 0.0719
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0082 0.0777 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0082 0.0777 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0082 0.0777 0.1314
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Leishmania major ATP diphosphohydrolase 0.0036 0.0062 0.0803
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0082 0.0777 0.0719
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0082 0.0777 0.0825
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0082 0.0777 0.0719
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma cruzi nucleoside phosphatase, putative 0.0036 0.0062 0.0803
Schistosoma mansoni adenylate kinase 0.0044 0.0188 0.0126
Plasmodium falciparum phosphodiesterase gamma, putative 0.0082 0.0777 0.1314
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0082 0.0777 0.0719
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0384 0.5499 0.5471
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma cruzi adenylate kinase, putative 0.0044 0.0188 0.2421
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0082 0.0777 0.0825
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0082 0.0777 0.0719
Leishmania major adenylate kinase, putative 0.0044 0.0188 0.2421
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0082 0.0777 0.0719
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0082 0.0777 0.0825
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0082 0.0777 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0082 0.0777 0.0719
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0082 0.0777 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0672 1 1
Schistosoma mansoni ATP-diphosphohydrolase 1 0.0384 0.5499 0.5471
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0777 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0082 0.0777 1
Schistosoma mansoni adenylate kinase 0.0044 0.0188 0.0126
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0777 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0082 0.0777 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0082 0.0777 0.0719
Leishmania major hypothetical protein, conserved 0.0082 0.0777 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0082 0.0777 0.0719
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0082 0.0777 0.0825
Plasmodium vivax phosphodiesterase gamma, putative 0.0082 0.0777 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Schistosoma mansoni P2X receptor subunit 0.0145 0.176 0.1709
Trypanosoma brucei adenylate kinase, putative 0.0044 0.0188 0.2421
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Plasmodium falciparum phosphodiesterase delta, putative 0.0082 0.0777 0.1314
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0082 0.0777 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.059 0.8722 0.8714
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0082 0.0777 0.0825
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0384 0.5499 0.5471
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0777 1
Trypanosoma cruzi nucleoside phosphatase, putative 0.0036 0.0062 0.0803
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0777 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0082 0.0777 0.0719
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0044 0.0188 0.1759
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.0384 0.5499 0.5471
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0082 0.0777 0.0719
Trypanosoma brucei nucleoside diphosphatase, putative 0.0036 0.0062 0.0803
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0082 0.0777 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0082 0.0777 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0082 0.0777 1
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0777 1
Plasmodium falciparum apyrase, putative 0.0384 0.5499 1
Schistosoma mansoni P2X receptor subunit 0.0145 0.176 0.1709
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0777 1
Leishmania major nucleoside phosphatase, putative,guanosine diphosphatase, putative 0.0036 0.0062 0.0803
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0082 0.0777 0.0719
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0082 0.0777 0.0719

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.