Detailed information for compound 880875

Basic information

Technical information
  • TDR Targets ID: 880875
  • Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1- yl]-N-methyl-N-phenylacetamide
  • MW: 429.576 | Formula: C23H31N3O3S
  • H donors: 0 H acceptors: 3 LogP: 3.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccccc1)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C23H31N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)26-16-14-25(15-17-26)18-22(27)24(4)20-8-6-5-7-9-20/h5-13H,14-18H2,1-4H3
  • InChiKey: ODDSOHSVHDHYLL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenyl-acetamide
  • 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-N-methyl-N-phenylacetamide
  • 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenyl-ethanamide
  • T5741211

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) hypothetical protein 0.0047 0.0327 0.0408
Schistosoma mansoni vesicular acetylcholine transporter 0.0654 0.7795 0.7795
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0782 0.2008
Loa Loa (eye worm) hypothetical protein 0.0049 0.0352 0.044
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0349 0.0349
Echinococcus granulosus tumor protein p63 0.0408 0.4767 0.4767
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0782 0.2008
Brugia malayi PHD-finger family protein 0.0035 0.018 0.0082
Schistosoma mansoni chromobox protein 0.0084 0.0782 0.0782
Echinococcus multilocularis zinc finger protein 0.0024 0.0037 0.0037
Echinococcus multilocularis tumor protein p63 0.0408 0.4767 0.4767
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.006 0.0481 0.0607
Echinococcus granulosus zinc finger protein 0.0024 0.0037 0.0037
Echinococcus granulosus peregrin 0.0038 0.0215 0.0215
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0327 0.0193
Brugia malayi Bromodomain containing protein 0.0046 0.0316 0.0259
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0371 0.0687
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0349 0.0349
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.019 0.019
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0481 0.0481
Brugia malayi chromobox protein homolog 3 0.0047 0.0327 0.0274
Giardia lamblia PHD finger protein 15 0.0035 0.018 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.0035 0.018 0.0219
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0327 0.0545
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3266 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.038 0.0477
Echinococcus multilocularis peregrin 0.0038 0.0215 0.0215
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0444 0.0444
Echinococcus granulosus vesicular acetylcholine transporter 0.0654 0.7795 0.7795
Plasmodium vivax SET domain protein, putative 0.0036 0.019 1
Schistosoma mansoni chromobox protein 0.0084 0.0782 0.0782
Onchocerca volvulus 0.006 0.0481 0.0396
Loa Loa (eye worm) hypothetical protein 0.0046 0.0317 0.0395
Brugia malayi Bromodomain containing protein 0.0038 0.0215 0.0128
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0053 0.0057
Brugia malayi Bromodomain containing protein 0.0091 0.0861 0.0969
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0558
Echinococcus multilocularis chromobox protein 1 0.0084 0.0782 0.0782
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0082 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.036 0.036
Brugia malayi jmjC domain containing protein 0.0045 0.0299 0.0238
Brugia malayi jmjC domain containing protein 0.0115 0.1165 0.1366
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0874 0.0874
Brugia malayi Heterochromatin protein 1 0.0084 0.0782 0.0866
Schistosoma mansoni hypothetical protein 0.0025 0.0053 0.0053
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0299 0.0299
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0654 0.7795 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.018 0.018
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0281 0.0281
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0641 0.0812
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.019 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0371 0.0687
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1165 0.1165
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0444 0.0444
Onchocerca volvulus 0.0286 0.3266 0.4053
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0327 0.0545
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0444 0.0444
Echinococcus granulosus chromobox protein 1 0.0084 0.0782 0.0782
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0634 0.0634
Echinococcus granulosus chromobox protein 1 0.0084 0.0782 0.0782
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0444 0.0444
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2839 0.3635
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1165 0.1165
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0371 0.0251
Echinococcus multilocularis chromobox protein 1 0.0084 0.0782 0.0782
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0299 0.0373
Brugia malayi Pre-SET motif family protein 0.0036 0.019 0.0096
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0082 0.0082
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0299 0.0299
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.018 0.018
Schistosoma mansoni zinc finger protein 0.0024 0.0037 0.0037
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0634 0.0634
Onchocerca volvulus 0.0037 0.0202 0.0029
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.018 0.0219
Brugia malayi vesicular acetylcholine transporter unc-17 0.0654 0.7795 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0797 0.1012
Plasmodium falciparum phd finger protein, putative 0.0035 0.018 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0782 0.0992
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.019 0.019
Schistosoma mansoni hypothetical protein 0.0035 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.006 0.0489 0.0617
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0037 0.0202 0.0247
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0281 0.0281
Echinococcus multilocularis vesicular acetylcholine transporter 0.0654 0.7795 0.7795
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.018 0.018
Onchocerca volvulus 0.005 0.036 0.0236
Brugia malayi Pre-SET motif family protein 0.0251 0.2839 0.3545
Schistosoma mansoni bromodomain containing protein 0.0076 0.0687 0.0687
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0082 0.0082
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0654 0.7795 1

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.

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