Detailed information for compound 779307

Basic information

Technical information
  • TDR Targets ID: 779307
  • Name: 1-(4-chlorophenyl)sulfonyl-4-[(3,4-dimethoxyp henyl)methyl]piperazine
  • MW: 410.915 | Formula: C19H23ClN2O4S
  • H donors: 0 H acceptors: 2 LogP: 2.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C19H23ClN2O4S/c1-25-18-8-3-15(13-19(18)26-2)14-21-9-11-22(12-10-21)27(23,24)17-6-4-16(20)5-7-17/h3-8,13H,9-12,14H2,1-2H3
  • InChiKey: CNHKNXPHXSBLKV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorophenyl)sulfonyl-4-(3,4-dimethoxybenzyl)piperazine
  • Oprea1_810424
  • STK194826
  • Oprea1_017700

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
Schistosoma mansoni hypothetical protein 0.0034 0.0655 0.0989
Plasmodium vivax SET domain protein, putative 0.003 0.046 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1114 0.1575
Echinococcus multilocularis CAAX prenyl protease 2 0.0093 0.3307 0.4929
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.6592 0.9954
Trypanosoma brucei CAAX amino terminal protease, putative 0.0093 0.3307 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.1114 0.1575
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.075 0.0661
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1217 0.1837
Trichomonas vaginalis set domain proteins, putative 0.0239 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0892 0.1028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.046 0.0695
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1217 0.1732
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1217 0.1837
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0093 0.3307 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.3307 0.3812
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0093 0.3307 0.2764
Echinococcus granulosus geminin 0.0165 0.6622 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0655 0.0755
Schistosoma mansoni alpha-glucosidase 0.0142 0.5547 0.8376
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0655 0.0548
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.075 0.0865
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1217 0.1732
Schistosoma mansoni alpha glucosidase 0.0037 0.075 0.1133
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1733 0.2522
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.046 0.0695
Brugia malayi CAAX amino terminal protease family protein 0.0093 0.3307 0.3674
Schistosoma mansoni alpha-glucosidase 0.0142 0.5547 0.8376
Schistosoma mansoni hypothetical protein 0.0165 0.6622 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1382 0.1593
Brugia malayi Bromodomain containing protein 0.0037 0.0784 0.07
Loa Loa (eye worm) hypothetical protein 0.0069 0.2222 0.2562
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1114 0.1284
Loa Loa (eye worm) hypothetical protein 0.0037 0.0787 0.0907
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1382 0.1405
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.6592 0.9954
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1114 0.1089
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0679 0.0909
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1382 0.1593
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.046 0.0574
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.075 1
Schistosoma mansoni bromodomain containing protein 0.0062 0.1892 0.2858
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1382 0.1405
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0093 0.3307 0.4994
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.8675 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1114 0.1682
Brugia malayi Pre-SET motif family protein 0.021 0.8675 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.075 0.1018
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.6592 0.9954
Schistosoma mansoni hypothetical protein 0.0165 0.6622 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0679 0.0909
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0409 0.0497
Onchocerca volvulus 0.0095 0.3427 0.311
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.6592 0.7599
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1114 0.1682
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0093 0.3307 0.4994
Brugia malayi Bromodomain containing protein 0.0073 0.2412 0.2619
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1114 0.1575
Giardia lamblia Hypothetical protein 0.0093 0.3307 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.6592 0.7545
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0093 0.3307 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0977 0.1126
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1733 0.2522
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.1114 0.1575
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.075 0.1018
Brugia malayi Pre-SET motif family protein 0.003 0.046 0.0319
Entamoeba histolytica CAAX prenyl protease family 0.0093 0.3307 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0085 0.0128
Loa Loa (eye worm) hypothetical protein 0.0047 0.1217 0.1403
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.1114 0.1682
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0093 0.3307 1
Echinococcus multilocularis geminin 0.0165 0.6622 1
Echinococcus granulosus CAAX prenyl protease 2 0.0093 0.3307 0.4929

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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