Detailed information for compound 1588559

Basic information

Technical information
  • TDR Targets ID: 1588559
  • Name: 2-(2-aminophenyl)sulfanyl-5-morpholin-4-ylsul fonylbenzamide
  • MW: 393.48 | Formula: C17H19N3O4S2
  • H donors: 2 H acceptors: 3 LogP: 0.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cc(ccc1Sc1ccccc1N)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C17H19N3O4S2/c18-14-3-1-2-4-16(14)25-15-6-5-12(11-13(15)17(19)21)26(22,23)20-7-9-24-10-8-20/h1-6,11H,7-10,18H2,(H2,19,21)
  • InChiKey: OMIKULJDXBTNKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-aminophenyl)sulfanyl-5-morpholinosulfonyl-benzamide
  • 2-[(2-aminophenyl)thio]-5-morpholinosulfonylbenzamide
  • 2-[(2-aminophenyl)thio]-5-morpholinosulfonyl-benzamide
  • 2-(2-aminophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-benzamide
  • ZINC01067359
  • Oprea1_365488
  • A2413/0102313
  • EU-0052715

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi histone deacetylase 1, putative 0.069 0.1564 1
Giardia lamblia Histone deacetylase 0.069 0.1564 1
Echinococcus multilocularis histone deacetylase 0.0532 0.1185 0.7577
Trichomonas vaginalis histone deacetylase, putative 0.069 0.1564 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.069 0.1564 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0179 0.104
Echinococcus granulosus histone deacetylase 6 0.0532 0.1185 0.7577
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0041 0.0144
Echinococcus multilocularis histone deacetylase 7 0.0532 0.1185 0.7577
Toxoplasma gondii histone deacetylase HDAC3 0.069 0.1564 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0053 0.0033 0.0093
Plasmodium falciparum histone deacetylase 1 0.069 0.1564 1
Trichomonas vaginalis histone deacetylase, putative 0.069 0.1564 1
Echinococcus granulosus histone deacetylase 6 0.0532 0.1185 0.7577
Schistosoma mansoni histone deacetylase hda2 0.0276 0.0568 0.363
Leishmania major histone deacetylase, putative 0.069 0.1564 1
Brugia malayi histone deacetylase 11 0.0276 0.0568 0.363
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0179 0.104
Schistosoma mansoni UDP-glucose 4-epimerase 0.0053 0.0033 0.0208
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0053 0.0033 0.0093
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0179 0.104
Toxoplasma gondii histone deacetylase HDAC5 0.0276 0.0568 0.3555
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0047 0.0018 0.0117
Echinococcus granulosus histone deacetylase 8 0.0276 0.0568 0.363
Schistosoma mansoni histone deacetylase 0.069 0.1564 1
Plasmodium vivax histone deacetylase, putative 0.0532 0.1185 0.7548
Echinococcus granulosus histone deacetylase 6 0.057 0.1275 0.8149
Trypanosoma brucei UDP-galactose 4-epimerase 0.0051 0.0028 0.0064
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0179 0.104
Schistosoma mansoni kinase 0.0058 0.0044 0.0282
Loa Loa (eye worm) hypothetical protein 0.0294 0.0612 0.391
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0053 0.0033 0.0093
Brugia malayi Histone deacetylase family protein 0.0532 0.1185 0.7577
Brugia malayi UDP galactose 4'-epimerase 0.0053 0.0033 0.0208
Trypanosoma brucei histone deacetylase 2 0.0276 0.0568 0.3555
Brugia malayi histone deacetylase 1 (HD1) 0.069 0.1564 1
Schistosoma mansoni histone deacetylase hda2 0.057 0.1275 0.8149
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0179 0.1144
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0053 0.0033 0.0208
Loa Loa (eye worm) hypothetical protein 0.0257 0.0522 0.3338
Plasmodium vivax histone deacetylase 1, putative 0.069 0.1564 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0179 0.104
Giardia lamblia Kinase, PLK 0.0114 0.0179 0.104
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.069 0.1564 1
Echinococcus granulosus UDP glucose 4 epimerase 0.0053 0.0033 0.0208
Leishmania major udp-glc 4-epimerase, putative 0.0051 0.0028 0.0064
Echinococcus multilocularis histone deacetylase 1 0.069 0.1564 1
Echinococcus multilocularis histone deacetylase 8 0.0276 0.0568 0.363
Brugia malayi Histone deacetylase 1 0.069 0.1564 1
Schistosoma mansoni histone deacetylase 0.069 0.1564 1
Loa Loa (eye worm) histone deacetylase 11 0.0276 0.0568 0.363
Toxoplasma gondii histone deacetylase HDAC1 0.0532 0.1185 0.7548
Schistosoma mansoni histone deacetylase 1 2 3 0.0276 0.0568 0.363
Echinococcus multilocularis histone deacetylase 6 0.0532 0.1185 0.7577
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0041 0.0144
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0179 0.104
Echinococcus multilocularis geminin 0.0205 0.0397 0.2537
Trichomonas vaginalis histone deacetylase, putative 0.069 0.1564 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0179 0.1144
Trypanosoma cruzi histone deacetylase 1, putative 0.069 0.1564 1
Schistosoma mansoni hypothetical protein 0.0205 0.0397 0.2537
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.4151 0.9886 1
Trichomonas vaginalis histone deacetylase, putative 0.069 0.1564 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0179 0.104
Trypanosoma brucei histone deacetylase 4 0.0532 0.1185 0.7548
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0179 0.104
Trypanosoma cruzi histone deacetylase, putative 0.0276 0.0568 0.3555
Echinococcus granulosus histone deacetylase 3 0.069 0.1564 1
Echinococcus granulosus geminin 0.0205 0.0397 0.2537
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0179 0.104
Echinococcus multilocularis histone deacetylase 6 0.0532 0.1185 0.7577
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0179 0.1144
Toxoplasma gondii histone deacetylase HDAC4 0.0276 0.0568 0.3555
Toxoplasma gondii histone deacetylase HDAC2 0.069 0.1564 1
Echinococcus granulosus histone deacetylase 1 0.069 0.1564 1
Toxoplasma gondii UDP-glucose 4-epimerase 0.0053 0.0033 0.0093
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0053 0.0033 0.0093
Echinococcus multilocularis UDP glucose 4 epimerase 0.0053 0.0033 0.0208
Trypanosoma brucei histone deacetylase 1 0.069 0.1564 1
Plasmodium vivax histone deacetylase 2, putative 0.0532 0.1185 0.7548
Toxoplasma gondii hypothetical protein 0.0087 0.0114 0.062
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0179 0.3153
Echinococcus multilocularis histone deacetylase 6 0.057 0.1275 0.8149
Plasmodium falciparum histone deacetylase, putative 0.0532 0.1185 0.7548
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0087 0.0114 0.062
Trypanosoma brucei histone deacetylase, putative 0.0532 0.1185 0.7548
Giardia lamblia UDP-glucose 4-epimerase 0.0051 0.0028 0.0064
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0053 0.0033 0.0093
Trypanosoma cruzi histone deacetylase, putative 0.0532 0.1185 0.7548
Loa Loa (eye worm) histone deacetylase 3 0.069 0.1564 1
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0047 0.0018 0.0117
Schistosoma mansoni hypothetical protein 0.0205 0.0397 0.2537
Plasmodium falciparum histone deacetylase 2 0.0532 0.1185 0.7548
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0047 0.0018 0.0117
Trypanosoma brucei polo-like protein kinase 0.0114 0.0179 0.104
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0053 0.0033 0.0093
Leishmania major histone deacetylase, putative 0.069 0.1564 1
Echinococcus granulosus histone deacetylase 7 0.0532 0.1185 0.7577
Echinococcus granulosus histone deacetylase 0.0532 0.1185 0.7577
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0047 0.0018 0.0117
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0179 0.104
Trypanosoma cruzi histone deacetylase, putative 0.0276 0.0568 0.3555
Echinococcus multilocularis histone deacetylase 3 0.069 0.1564 1
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0047 0.0018 0.0117
Plasmodium vivax histone deacetylase, putative 0.0276 0.0568 0.3555
Trypanosoma cruzi histone deacetylase, putative 0.0532 0.1185 0.7548
Leishmania major histone deacetylase, putative 0.0532 0.1185 0.7548
Onchocerca volvulus Histone deacetylase 10 homolog 0.0276 0.0568 1
Brugia malayi histone deacetylase 3 (HD3) 0.069 0.1564 1
Trichomonas vaginalis histone deacetylase, putative 0.069 0.1564 1
Entamoeba histolytica histone deacetylase, putative 0.069 0.1564 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0179 0.104
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.069 0.1564 1
Loa Loa (eye worm) histone deacetylase 7A 0.0532 0.1185 0.7577
Trypanosoma cruzi histone deacetylase, putative 0.0532 0.1185 0.7548
Loa Loa (eye worm) histone deacetylase 0.0532 0.1185 0.7577
Schistosoma mansoni histone deacetylase 4 5 0.0532 0.1185 0.7577
Leishmania major histone deacetylase, putative 0.0532 0.1185 0.7548
Loa Loa (eye worm) hypothetical protein 0.069 0.1564 1
Trichomonas vaginalis histone deacetylase, putative 0.069 0.1564 1
Loa Loa (eye worm) histone deacetylase 1 0.069 0.1564 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0179 0.1144
Brugia malayi Histone deacetylase family protein 0.0532 0.1185 0.7577
Schistosoma mansoni histone deacetylase 4 5 0.0532 0.1185 0.7577
Trypanosoma brucei histone deacetylase 3 0.0532 0.1185 0.7548
Loa Loa (eye worm) hypothetical protein 0.0276 0.0568 0.363
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0179 0.1144
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4198 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.92 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.003 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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