Detailed information for compound 794338

Basic information

Technical information
  • TDR Targets ID: 794338
  • Name: N-[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]su lfonylphenyl]acetamide
  • MW: 387.496 | Formula: C20H25N3O3S
  • H donors: 1 H acceptors: 3 LogP: 2.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)C)C
  • InChi: 1S/C20H25N3O3S/c1-15-4-7-19(14-16(15)2)22-10-12-23(13-11-22)27(25,26)20-8-5-18(6-9-20)21-17(3)24/h4-9,14H,10-13H2,1-3H3,(H,21,24)
  • InChiKey: HJHDZFVWHFVJOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[[4-(3,4-dimethylphenyl)-1-piperazinyl]sulfonyl]phenyl]acetamide
  • N-[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]ethanamide
  • ZINC00807610
  • A2943/0123947
  • BAS 07244198
  • N-{4-[4-(3,4-Dimethyl-phenyl)-piperazine-1-sulfonyl]-phenyl}-acetamide
  • Acetamide, N-[4-[4-(3,4-dimethylphenyl)piperazine-1-sulfonyl]phenyl]-
  • NCGC00102703-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
Echinococcus multilocularis mothers against decapentaplegic 2 0.0012 0.0018 0.0018
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9672 0.9672
Loa Loa (eye worm) nuclear factor I 0.0014 0.005 0.0032
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0298 0.1175
Brugia malayi MH2 domain containing protein 0.0378 0.4328 0.4317
Brugia malayi MH1 domain containing protein 0.0026 0.0186 0.0168
Schistosoma mansoni vesicular acetylcholine transporter 0.0861 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0227 0.0227
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0298 0.114
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0298 0.0298
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0298 0.1175
Brugia malayi Pre-SET motif family protein 0.0204 0.2284 0.227
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0227 0.0227
Toxoplasma gondii ABC1 family protein 0.0035 0.0298 1
Brugia malayi beta-lactamase 0.0035 0.0298 0.028
Schistosoma mansoni hypothetical protein 0.0011 0.0011 0.0011
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0097 0.1019 0.1003
Schistosoma mansoni smad1 5 8 and 0.0026 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0029 0.0227 0.0209
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0298 0.114
Echinococcus granulosus smad 0.0026 0.0186 0.0186
Echinococcus multilocularis muscleblind protein 1 0.0176 0.1948 0.1948
Onchocerca volvulus 0.0035 0.0298 0.028
Echinococcus granulosus mothers against decapentaplegic 2 0.0012 0.0018 0.0018
Entamoeba histolytica hypothetical protein 0.0035 0.0294 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.028
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0298 0.028
Loa Loa (eye worm) hypothetical protein 0.0176 0.1948 0.1933
Brugia malayi Serotonin receptor 0.0491 0.5648 0.564
Schistosoma mansoni smad 0.0026 0.0186 0.0186
Onchocerca volvulus 0.0035 0.0298 0.028
Entamoeba histolytica hypothetical protein 0.0035 0.0294 0.5
Echinococcus granulosus Smad4 0.0026 0.0186 0.0186
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0298 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0298 0.114
Echinococcus multilocularis vesicular acetylcholine transporter 0.0861 1 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0861 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0227 0.0227
Loa Loa (eye worm) beta-lactamase 0.0035 0.0298 0.028
Schistosoma mansoni smad1 5 8 and 0.0026 0.0186 0.0186
Loa Loa (eye worm) Smad1 0.0026 0.0186 0.0168
Brugia malayi Smad1 0.0026 0.0186 0.0168
Schistosoma mansoni Smad4 0.0026 0.0186 0.0186
Mycobacterium tuberculosis Conserved protein 0.0035 0.0298 0.1175
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0294 0.0294
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0011 0.0011
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.2284 0.227
Brugia malayi hypothetical protein 0.0024 0.0169 0.0151
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0227 0.451
Schistosoma mansoni hypothetical protein 0.0035 0.0294 0.0294
Schistosoma mansoni smad1 5 8 and 0.0026 0.0186 0.0186
Brugia malayi MH2 domain containing protein 0.0026 0.0186 0.0168
Schistosoma mansoni smad 0.0012 0.0018 0.0018
Brugia malayi beta-lactamase family protein 0.0035 0.0298 0.028
Schistosoma mansoni Smad4 0.0012 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0014 0.005 0.0032
Echinococcus multilocularis Smad4 0.0026 0.0186 0.0186
Brugia malayi hypothetical protein 0.0035 0.0294 0.0277
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0298 0.1175
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0298 0.1175
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0298 1
Echinococcus multilocularis smad 0.0026 0.0186 0.0186
Brugia malayi beta-lactamase family protein 0.0035 0.0298 0.028
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0186 0.0168
Treponema pallidum bacterioferrin (TpF1) 0.001 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0298 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0214 0.0214
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0298 0.1175
Brugia malayi Pre-SET motif family protein 0.0029 0.0227 0.0209
Brugia malayi MH2 domain containing protein 0.0026 0.0186 0.0168
Trichomonas vaginalis esterase, putative 0.0035 0.0298 0.114
Echinococcus granulosus geminin 0.0164 0.1806 0.1806
Plasmodium vivax SET domain protein, putative 0.0029 0.0227 0.451
Echinococcus multilocularis tumor protein p63 0.0661 0.7646 0.7646
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0298 0.1175
Brugia malayi MH1 domain containing protein 0.0026 0.0186 0.0168
Schistosoma mansoni hypothetical protein 0.0164 0.1806 0.1806
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.028
Schistosoma mansoni cellular tumor antigen P53 0.0097 0.1019 0.1019
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0298 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0169 0.5
Onchocerca volvulus 0.0035 0.0298 0.028
Brugia malayi hypothetical protein 0.0016 0.0067 0.0049
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0186 0.0186
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0294 0.0294
Mycobacterium tuberculosis Conserved protein 0.0035 0.0298 0.1175
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0186 0.0186
Echinococcus granulosus vesicular acetylcholine transporter 0.0861 1 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0298 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0861 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.1806 0.1806
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0294 0.0294
Leishmania major hypothetical protein, conserved 0.0035 0.0298 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0298 0.1175
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.028
Loa Loa (eye worm) transcription factor SMAD2 0.0378 0.4328 0.4317
Loa Loa (eye worm) MH2 domain-containing protein 0.0378 0.4328 0.4317
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0227 0.0227
Entamoeba histolytica hypothetical protein 0.0035 0.0294 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0169 0.0151
Echinococcus multilocularis mothers against decapentaplegic 6 0.0012 0.0018 0.0018
Echinococcus multilocularis muscleblind protein 0.0176 0.1948 0.1948
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0186 0.0186
Trichomonas vaginalis set domain proteins, putative 0.0233 0.2615 1
Brugia malayi MH1 domain containing protein 0.0014 0.005 0.0032
Onchocerca volvulus 0.0097 0.1019 0.1003
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0298 0.028
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0011 0.0011
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0227 0.0227
Onchocerca volvulus 0.0233 0.2615 0.2602
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.2536 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0012 0.0018 0.0018
Echinococcus granulosus muscleblind protein 0.0176 0.1948 0.1948
Mycobacterium ulcerans hypothetical protein 0.0035 0.0298 1
Brugia malayi Muscleblind-like protein 0.0176 0.1948 0.1933
Entamoeba histolytica hypothetical protein 0.0035 0.0294 0.5
Schistosoma mansoni Smad4 0.0012 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.028
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0227 0.0227
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0298 0.114
Loa Loa (eye worm) hypothetical protein 0.0176 0.1948 0.1933
Onchocerca volvulus 0.0029 0.0227 0.0209
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0186 0.0186
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9672 0.9672
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0298 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0298 0.1175
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0298 0.0298
Mycobacterium ulcerans beta-lactamase 0.0035 0.0298 1
Echinococcus granulosus tumor protein p63 0.0661 0.7646 0.7646
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0186 0.0168
Mycobacterium ulcerans lipase LipD 0.0035 0.0298 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0298 0.114
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0298 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0169 0.5
Brugia malayi MH1 domain containing protein 0.0014 0.005 0.0032
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.028
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.028
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.079 0.9159 0.9159
Mycobacterium leprae Probable lipase LipE 0.0035 0.0298 1
Echinococcus multilocularis geminin 0.0164 0.1806 0.1806
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0298 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0227 0.0227
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9672 0.9672

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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