Detailed information for compound 1759913

Basic information

Technical information
  • TDR Targets ID: 1759913
  • Name: N-(2,3-dimethylphenyl)-1,2,5-trimethyl-4-(mor pholine-4-carbonyl)pyrrole-3-sulfonamide
  • MW: 405.511 | Formula: C20H27N3O4S
  • H donors: 1 H acceptors: 3 LogP: 1.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(C)n(c(c1S(=O)(=O)Nc1cccc(c1C)C)C)C)N1CCOCC1
  • InChi: 1S/C20H27N3O4S/c1-13-7-6-8-17(14(13)2)21-28(25,26)19-16(4)22(5)15(3)18(19)20(24)23-9-11-27-12-10-23/h6-8,21H,9-12H2,1-5H3
  • InChiKey: JFZZYNWPAAYHNJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,3-dimethylphenyl)-1,2,5-trimethyl-4-(morpholino-oxomethyl)-3-pyrrolesulfonamide
  • N-(2,3-dimethylphenyl)-1,2,5-trimethyl-4-morpholin-4-ylcarbonyl-pyrrole-3-sulfonamide

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
Entamoeba histolytica protein kinase, putative 0.0083 0.0025 0.5
Echinococcus granulosus Protein kinase C brain isozyme 0.027 0.2638 1
Echinococcus multilocularis protein kinase c epsilon type 0.0145 0.0894 0.3326
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Echinococcus granulosus protein kinase C gamma type 0.0212 0.1824 0.6887
Toxoplasma gondii AGC kinase 0.0083 0.0025 0.5
Schistosoma mansoni atypical protein kinase C 0.0141 0.0838 0.3113
Brugia malayi protein kinase C II. 0.0145 0.0894 0.5842
Echinococcus multilocularis serine threonine protein kinase 0.0212 0.1824 0.6887
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Schistosoma mansoni serine/threonine protein kinase 0.027 0.2638 1
Loa Loa (eye worm) hypothetical protein 0.0775 0.9663 0.9662
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0145 0.0894 0.0871
Loa Loa (eye worm) hypothetical protein 0.0716 0.885 0.8847
Echinococcus multilocularis Protein kinase C, brain isozyme 0.027 0.2638 1
Entamoeba histolytica protein kinase, putative 0.0083 0.0025 0.5
Echinococcus granulosus RNA directed DNA polymerase 0.0125 0.0618 0.2272
Onchocerca volvulus 0.0716 0.885 0.5
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0131 0.0699 0.0676
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Schistosoma mansoni serine/threonine protein kinase 0.027 0.2638 1
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Loa Loa (eye worm) hypothetical protein 0.0716 0.885 0.8847
Entamoeba histolytica protein kinase, putative 0.0083 0.0025 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.0083 0.0025 0.5
Echinococcus multilocularis RNA directed DNA polymerase 0.0125 0.0618 0.2272
Echinococcus granulosus protein kinase c epsilon type 0.0145 0.0894 0.3326
Echinococcus granulosus protein kinase c iota type 0.0141 0.0838 0.3113
Entamoeba histolytica protein kinase, putative 0.0083 0.0025 0.5
Echinococcus multilocularis protein kinase c iota type 0.0141 0.0838 0.3113
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Loa Loa (eye worm) hypothetical protein 0.0716 0.885 0.8847
Schistosoma mansoni serine/threonine protein kinase 0.0145 0.0894 0.3326
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0125 0.0618 0.2272
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1
Brugia malayi Protein kinase c protein 2 0.0189 0.1512 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.0618 0.0595
Loa Loa (eye worm) hypothetical protein 0.0184 0.1432 0.141
Trichomonas vaginalis AGC family protein kinase 0.0083 0.0025 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 21.1923 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

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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