Detailed information for compound 26233

Basic information

Technical information
  • TDR Targets ID: 26233
  • Name: dodecyl N-[[2,6-di(propan-2-yl)phenyl]sulfamo yl]carbamate
  • MW: 468.693 | Formula: C25H44N2O4S
  • H donors: 2 H acceptors: 3 LogP: 9.19 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCOC(=O)NS(=O)(=O)Nc1c(cccc1C(C)C)C(C)C
  • InChi: 1S/C25H44N2O4S/c1-6-7-8-9-10-11-12-13-14-15-19-31-25(28)27-32(29,30)26-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21,26H,6-15,19H2,1-5H3,(H,27,28)
  • InChiKey: RHTKSVFSODVWGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • dodecyl N-[(2,6-diisopropylphenyl)sulfamoyl]carbamate
  • N-[(2,6-diisopropylphenyl)sulfamoyl]carbamic acid dodecyl ester
  • N-[(2,6-diisopropylphenyl)sulfamoyl]carbamic acid lauryl ester

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
Loa Loa (eye worm) AGC/PKN protein kinase 0.0133 0.0326 0.0326
Loa Loa (eye worm) RasGEF domain-containing protein 0.0365 0.3506 0.3506
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0133 0.0326 0.0618
Schistosoma mansoni serine/threonine kinase 0.0133 0.0326 0.0618
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0133 0.0326 0.0618
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0243 0.183 0.3463
Loa Loa (eye worm) AGC/NDR protein kinase 0.0133 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0705 0.817 0.817
Loa Loa (eye worm) hypothetical protein 0.0118 0.0119 0.0119
Schistosoma mansoni atypical protein kinase C 0.024 0.179 0.339
Loa Loa (eye worm) hypothetical protein 0.0705 0.817 0.817
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0462 0.4842 0.4842
Onchocerca volvulus 0.0705 0.817 1
Brugia malayi Protein kinase domain containing protein 0.0133 0.0326 0.0674
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0133 0.0326 0.0618
Echinococcus multilocularis serine:threonine protein kinase N2 0.0133 0.0326 0.0618
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0133 0.0326 0.0326
Schistosoma mansoni unc-13 (munc13) 0.0118 0.0119 0.0226
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0133 0.0326 0.0326
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Echinococcus granulosus protein kinase c iota type 0.024 0.179 0.339
Schistosoma mansoni serine/threonine protein kinase 0.0494 0.5282 1
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0214 0.1428 0.2704
Brugia malayi Protein kinase c protein 2 0.0364 0.3492 0.7212
Brugia malayi Hr1 repeat family protein 0.0133 0.0326 0.0674
Entamoeba histolytica PH domain containing protein kinase, putative 0.0214 0.1428 1
Brugia malayi protein kinase C II. 0.0462 0.4842 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.183 0.183
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0133 0.0326 0.0618
Echinococcus multilocularis serine:threonine protein kinase N2 0.0344 0.3219 0.6093
Brugia malayi RasGEF domain containing protein 0.0258 0.2042 0.4217
Echinococcus multilocularis unc 13 (munc13) 0.0118 0.0119 0.0226
Echinococcus granulosus serine:threonine protein kinase N2 0.0133 0.0326 0.0618
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0494 0.5282 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0133 0.0326 0.0326
Schistosoma mansoni protein kinase C 0.0118 0.0119 0.0226
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Echinococcus multilocularis serine threonine protein kinase 0.0388 0.3818 0.7228
Brugia malayi Protein kinase domain containing protein 0.0133 0.0326 0.0674
Loa Loa (eye worm) hypothetical protein 0.0705 0.817 0.817
Echinococcus multilocularis RNA directed DNA polymerase 0.0243 0.183 0.3463
Echinococcus granulosus RNA directed DNA polymerase 0.0243 0.183 0.3463
Loa Loa (eye worm) hypothetical protein 0.035 0.3294 0.3294
Echinococcus granulosus protein kinase c epsilon type 0.0462 0.4842 0.9166
Schistosoma mansoni serine/threonine protein kinase 0.0133 0.0326 0.0618
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Echinococcus granulosus protein kinase C gamma type 0.0388 0.3818 0.7228
Schistosoma mansoni serine/threonine protein kinase 0.0133 0.0326 0.0618
Schistosoma mansoni serine/threonine protein kinase 0.0494 0.5282 1
Toxoplasma gondii AGC kinase 0.0133 0.0326 0.5
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0118 0.0119 0.0226
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0133 0.0326 0.0326
Echinococcus multilocularis protein kinase c iota type 0.024 0.179 0.339
Echinococcus multilocularis protein kinase c epsilon type 0.0462 0.4842 0.9166
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0133 0.0326 0.0618
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Schistosoma mansoni serine/threonine protein kinase 0.0133 0.0326 0.0618
Echinococcus multilocularis serine:threonine protein kinase 38 0.0133 0.0326 0.0618
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0133 0.0326 0.0618
Loa Loa (eye worm) hypothetical protein 0.0811 0.9634 0.9634
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Schistosoma mansoni serine/threonine protein kinase 0.0133 0.0326 0.0618
Echinococcus granulosus Protein kinase C brain isozyme 0.0494 0.5282 1
Brugia malayi Protein kinase domain containing protein 0.0133 0.0326 0.0674
Loa Loa (eye worm) AGC/AKT protein kinase 0.0133 0.0326 0.0326
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0118 0.0119 0.0226
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0257 0.2028 0.2028
Echinococcus granulosus unc 13 munc13 0.0118 0.0119 0.0226
Trypanosoma brucei rac serine-threonine kinase, putative 0.0133 0.0326 0.5
Echinococcus granulosus NDR protein kinase 0.0133 0.0326 0.0618
Schistosoma mansoni serine/threonine protein kinase 0.0462 0.4842 0.9166
Trichomonas vaginalis AGC family protein kinase 0.0133 0.0326 1
Schistosoma mansoni unc-13 (munc13) 0.0118 0.0119 0.0226
Brugia malayi p70 ribosomal S6 kinase beta 0.0133 0.0326 0.0674

Activities

Activity type Activity value Assay description Source Reference
Delta TC (functional) = 0 % Acute in vivo activity measured by total plasma cholesterol concentration levels (TC) at 30 mg/kg dose ChEMBL. 8632431
IC50 (binding) = 33 uM In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver ChEMBL. 8632431
IC50 (binding) = 33 uM In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver ChEMBL. 8632431

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

1 literature reference was collected for this gene.

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