Detailed information for compound 819611

Basic information

Technical information
  • TDR Targets ID: 819611
  • Name: N-tert-butyl-2-[(4-methoxyphenyl)-methylsulfo nylamino]acetamide
  • MW: 314.4 | Formula: C14H22N2O4S
  • H donors: 1 H acceptors: 3 LogP: 1.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)C)CC(=O)NC(C)(C)C
  • InChi: 1S/C14H22N2O4S/c1-14(2,3)15-13(17)10-16(21(5,18)19)11-6-8-12(20-4)9-7-11/h6-9H,10H2,1-5H3,(H,15,17)
  • InChiKey: DIXZWQOTVXZCHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-tert-butyl-2-[(4-methoxyphenyl)-methylsulfonyl-amino]acetamide
  • N-tert-butyl-2-[mesyl-(4-methoxyphenyl)amino]acetamide
  • N-tert-butyl-2-[(4-methoxyphenyl)-methylsulfonyl-amino]ethanamide
  • 6169-58-0
  • CBMicro_011013
  • CDS1_003589
  • DivK1c_004629
  • BIM-0010885.P001

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 hypothetical protein 0.0021 0.0016 0.5
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.2482 0.7674 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Brugia malayi Stress-activated protein kinase jnk-1 0.0459 0.1377 0.1246
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0016 0 0.5
Mycobacterium tuberculosis Possible arabinofuranosyltransferase AftD 0.0021 0.0016 0.5
Brugia malayi P38 map kinase family protein 2 0.2482 0.7674 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0415 0.124 0.1598
Echinococcus granulosus discoidin domain receptor 0.017 0.0479 0.0604
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.323 1 1
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0021 0.0016 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0459 0.1377 0.1363
Onchocerca volvulus 0.0174 0.0492 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.0415 0.124 0.1598
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0016 0.5
Plasmodium vivax LCCL domain-containing protein 0.0021 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.323 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0415 0.124 0.1226
Echinococcus granulosus tyrosine protein kinase Lyn 0.0026 0.0032 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Entamoeba histolytica protein kinase, putative 0.0016 0 0.5
Toxoplasma gondii hypothetical protein 0.323 1 1
Echinococcus granulosus mitogen activated protein kinase 11 0.2482 0.7674 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.2482 0.7674 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.323 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.2482 0.7674 0.5
Echinococcus granulosus mitogen activated protein kinase 14 0.2482 0.7674 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.2482 0.7674 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0016 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.0171 0.0481 0.0607
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.2482 0.7674 0.5
Onchocerca volvulus 0.0021 0.0016 0.0323
Schistosoma mansoni tyrosine kinase 0.0409 0.1221 0.8855
Echinococcus multilocularis mitogen activated protein kinase 14 0.2482 0.7674 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0021 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.0159 0.0444 0.0429
Schistosoma mansoni serine/threonine protein kinase 0.0459 0.1377 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.2482 0.7674 0.7671
Brugia malayi Tyrosine-protein kinase abl-1 0.025 0.0727 0.0342
Echinococcus multilocularis mitogen activated protein kinase 14 0.2482 0.7674 1
Loa Loa (eye worm) TK/DDR protein kinase 0.0153 0.0426 0.0411
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.0153 0.0426 0.0411
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0021 0.0016 0.5
Mycobacterium leprae PROBABLE CONSERVED TRANSMEMBRANE PROTEIN 0.0021 0.0016 0.5
Echinococcus granulosus c-Jun N-terminal kinases 0.0459 0.1377 0.1777
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Loa Loa (eye worm) hypothetical protein 0.017 0.0479 0.0464
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.2482 0.7674 0.5
Brugia malayi Protein kinase domain containing protein 0.0174 0.0492 0.0016
Plasmodium vivax LCCL domain-containing protein 0.0021 0.0016 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0016 0.5
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0459 0.1377 0.1777

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.