Detailed information for compound 1361716

Basic information

Technical information
  • TDR Targets ID: 1361716
  • Name: N-(4-diethylaminophenyl)-2-[4-(4-propan-2-ylp henyl)sulfonylpiperazin-1-yl]acetamide
  • MW: 472.643 | Formula: C25H36N4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.77 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)C)CC
  • InChi: 1S/C25H36N4O3S/c1-5-28(6-2)23-11-9-22(10-12-23)26-25(30)19-27-15-17-29(18-16-27)33(31,32)24-13-7-21(8-14-24)20(3)4/h7-14,20H,5-6,15-19H2,1-4H3,(H,26,30)
  • InChiKey: DETCENMZUFXBMV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-diethylaminophenyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]acetamide
  • N-(4-diethylaminophenyl)-2-[4-(4-isopropylphenyl)sulfonyl-1-piperazinyl]acetamide
  • N-(4-diethylaminophenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanamide
  • K940-3785
  • NCGC00141835-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens galactosylceramidase No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
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 jumonji domain containing protein 0.0092 0.0874 0.0874
Brugia malayi jmjC domain containing protein 0.0115 0.1165 0.1366
Brugia malayi Heterochromatin protein 1 0.0084 0.0782 0.0866
Brugia malayi jmjC domain containing protein 0.0045 0.0299 0.0238
Schistosoma mansoni hypothetical protein 0.0025 0.0053 0.0053
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0299 0.0299
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
Onchocerca volvulus 0.006 0.0481 0.0396
Schistosoma mansoni chromobox protein 0.0084 0.0782 0.0782
Brugia malayi Bromodomain containing protein 0.0091 0.0861 0.0969
Loa Loa (eye worm) hypothetical protein 0.0057 0.0444 0.0558
Brugia malayi Bromodomain containing protein 0.0038 0.0215 0.0128
Loa Loa (eye worm) hypothetical protein 0.0046 0.0317 0.0395
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0053 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0052 0.038 0.0477
Echinococcus multilocularis peregrin 0.0038 0.0215 0.0215
Plasmodium vivax SET domain protein, putative 0.0036 0.019 1
Echinococcus granulosus vesicular acetylcholine transporter 0.0654 0.7795 0.7795
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
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0035 0.018 0.0219
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3266 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0327 0.0545
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0174 0.0174
Giardia lamblia PHD finger protein 15 0.0035 0.018 0.5
Brugia malayi chromobox protein homolog 3 0.0047 0.0327 0.0274
Echinococcus granulosus peregrin 0.0038 0.0215 0.0215
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0327 0.0193
Loa Loa (eye worm) hypothetical protein 0.006 0.0481 0.0607
Echinococcus granulosus zinc finger protein 0.0024 0.0037 0.0037
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0371 0.0687
Brugia malayi Bromodomain containing protein 0.0046 0.0316 0.0259
Schistosoma mansoni chromobox protein 0.0084 0.0782 0.0782
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0782 0.2008
Brugia malayi PHD-finger family protein 0.0035 0.018 0.0082
Echinococcus multilocularis zinc finger protein 0.0024 0.0037 0.0037
Echinococcus granulosus tumor protein p63 0.0408 0.4767 0.4767
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0299 0.0299
Echinococcus multilocularis tumor protein p63 0.0408 0.4767 0.4767
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0782 0.2008
Loa Loa (eye worm) hypothetical protein 0.0049 0.0352 0.044
Loa Loa (eye worm) hypothetical protein 0.0047 0.0327 0.0408
Schistosoma mansoni vesicular acetylcholine transporter 0.0654 0.7795 0.7795
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0349 0.0349
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.018 0.018
Brugia malayi Pre-SET motif family protein 0.0251 0.2839 0.3545
Onchocerca volvulus 0.005 0.036 0.0236
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
Loa Loa (eye worm) hypothetical protein 0.0037 0.0202 0.0247
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.006 0.0489 0.0617
Echinococcus multilocularis vesicular acetylcholine transporter 0.0654 0.7795 0.7795
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0085 0.0797 0.1012
Brugia malayi vesicular acetylcholine transporter unc-17 0.0654 0.7795 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0782 0.0992
Plasmodium falciparum phd finger protein, putative 0.0035 0.018 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.018 0.0219
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.018 0.018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.019 0.019
Schistosoma mansoni zinc finger protein 0.0024 0.0037 0.0037
Onchocerca volvulus 0.0037 0.0202 0.0029
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0634 0.0634
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0299 0.0373
Echinococcus multilocularis chromobox protein 1 0.0084 0.0782 0.0782
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.018 0.018
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0299 0.0299
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0082 0.0082
Brugia malayi Pre-SET motif family protein 0.0036 0.019 0.0096
Echinococcus granulosus chromobox protein 1 0.0084 0.0782 0.0782
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 multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0634 0.0634
Echinococcus granulosus chromobox protein 1 0.0084 0.0782 0.0782
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0371 0.0251
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2839 0.3635
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0444 0.0444
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1165 0.1165
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
Onchocerca volvulus 0.0286 0.3266 0.4053
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0371 0.0687
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0444 0.0444
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1165 0.1165
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
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0654 0.7795 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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