Detailed information for compound 222364

Basic information

Technical information
  • TDR Targets ID: 222364
  • Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsul fanyl]-1,3-thiazol-2-yl]benzenesulfonamide
  • MW: 409.546 | Formula: C17H19N3O3S3
  • H donors: 1 H acceptors: 4 LogP: 4.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1ccccc1)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C
  • InChi: 1S/C17H19N3O3S3/c1-17(2,3)13-9-18-14(23-13)11-24-15-10-19-16(25-15)20-26(21,22)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,19,20)
  • InChiKey: HTZRFBLQVDBFTF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-[(5-tert-butyloxazol-2-yl)methylsulfanyl]thiazol-2-yl]benzenesulfonamide
  • N-[5-[(5-tert-butyl-2-oxazolyl)methylthio]-2-thiazolyl]benzenesulfonamide
  • N-[5-[(5-tert-butyloxazol-2-yl)methylthio]thiazol-2-yl]benzenesulfonamide
  • 2-amino-5-thio-substituted thiazole 36

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin E2 Starlite/ChEMBL References

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
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0116 0.1151 0.1151
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0116 0.1151 0.1151
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0843 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0843 1 1
Loa Loa (eye worm) hypothetical protein 0.0727 0.8588 0.8588
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0116 0.1151 0.1151
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Giardia lamblia Hypothetical protein 0.0116 0.1151 0.1151
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0116 0.1151 0.5
Schistosoma mansoni fk506 binding protein 0.0116 0.1151 0.1151
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0116 0.1151 0.1151
Leishmania major peptidylprolyl isomerase-like protein 0.0843 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0843 1 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0843 1 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0116 0.1151 0.5
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0116 0.1151 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0116 0.1151 0.1151
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.1151 0.1151
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0116 0.1151 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0843 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0116 0.1151 0.5
Echinococcus multilocularis fk506 binding protein 0.0843 1 1
Schistosoma mansoni immunophilin 0.0727 0.8588 0.8588
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0843 1 1
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0843 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0843 1 1
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0843 1 1
Onchocerca volvulus 0.0116 0.1151 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0116 0.1151 0.1151
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0116 0.1151 0.1151
Trichomonas vaginalis fk506-binding protein, putative 0.0116 0.1151 0.1151
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0116 0.1151 0.1151
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0843 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0843 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0843 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0843 1 1
Trichomonas vaginalis immunophilin, putative 0.0843 1 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0116 0.1151 0.5
Echinococcus multilocularis 0.0116 0.1151 0.1151
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0843 1 1
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0116 0.1151 0.1151
Trichomonas vaginalis fk506-binding protein, putative 0.0116 0.1151 0.1151
Schistosoma mansoni immunophilin 0.0843 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.0843 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0843 1 1
Schistosoma mansoni hypothetical protein 0.0116 0.1151 0.1151
Onchocerca volvulus 0.0116 0.1151 1
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0116 0.1151 0.1151
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0116 0.1151 0.1151
Leishmania major fk506-binding protein 1-like protein 0.0843 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0116 0.1151 0.1151
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0727 0.8588 0.8588
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0116 0.1151 0.1151
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0843 1 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0116 0.1151 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0843 1 1
Echinococcus granulosus FK506 binding protein 2 0.0116 0.1151 0.1151
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.1151 0.1151
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0843 1 1
Trichomonas vaginalis fk506 binding protein, putative 0.0116 0.1151 0.1151
Loa Loa (eye worm) FKBP5 protein 0.0843 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0116 0.1151 0.1151
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0116 0.1151 0.1151
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0843 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0843 1 1
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0116 0.1151 0.1151
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0116 0.1151 0.1151
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0727 0.8588 0.8588
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0116 0.1151 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0843 1 1
Schistosoma mansoni immunophilin 0.0843 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0843 1 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0116 0.1151 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 0.1151 0.1151

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.86 uM Cytotoxic activity against A2780 human ovarian carcinoma cell line ChEMBL. 12190313
IC50 (functional) = 2.86 uM Cytotoxic activity against A2780 human ovarian carcinoma cell line ChEMBL. 12190313
IC50 (binding) = 4.28 uM Inhibitory activity against baculovirus expressed Cyclin dependent kinase 2-cyclinE ChEMBL. 12190313
IC50 (binding) = 4.28 uM Inhibitory activity against baculovirus expressed Cyclin dependent kinase 2-cyclinE ChEMBL. 12190313

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12190313

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

1 literature reference was collected for this gene.

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