Detailed information for compound 1389762

Basic information

Technical information
  • TDR Targets ID: 1389762
  • Name: N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piper azin-1-yl]acetamide; oxalic acid
  • MW: 413.441 | Formula: C19H28FN3O6
  • H donors: 3 H acceptors: 5 LogP: -0.65 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.CCOCCCNC(=O)CN1CCN(CC1)c1ccc(cc1)F
  • InChi: 1S/C17H26FN3O2.C2H2O4/c1-2-23-13-3-8-19-17(22)14-20-9-11-21(12-10-20)16-6-4-15(18)5-7-16;3-1(4)2(5)6/h4-7H,2-3,8-14H2,1H3,(H,19,22);(H,3,4)(H,5,6)
  • InChiKey: MIBBOHYDDMZVMG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]acetamide; oxalic acid
  • ethanedioic acid; N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanamide
  • MLS000074922
  • N-(3-Ethoxy-propyl)-2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-acetamide
  • SMR000008374

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus Transcription factor JmjC 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein 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
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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii hypothetical protein 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 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
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein 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
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
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 0.0057 0.1334 0.1535
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0524 0.0603
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0891 0.3131
Loa Loa (eye worm) hypothetical protein 0.0035 0.0524 0.0603
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0066 0.1674 0.4582
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0222 0.0391
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0524 0.1262
Trypanosoma brucei DNA topoisomerase ii 0.0162 0.5327 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0891 0.3131
Entamoeba histolytica DNA topoisomerase II, putative 0.0066 0.1674 0.5
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0066 0.1674 0.4582
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0524 0.1702
Brugia malayi Pre-SET motif family protein 0.0036 0.0556 0.027
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1918 0.5286
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0162 0.5327 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0162 0.5327 1
Brugia malayi Bromodomain containing protein 0.0038 0.0632 0.0361
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0833 0.2155
Echinococcus granulosus peregrin 0.0038 0.0632 0.1574
Loa Loa (eye worm) hypothetical protein 0.006 0.1474 0.1697
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0891 0.1026
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0222 0.0527
Chlamydia trachomatis DNA gyrase subunit B 0.0281 0.9806 1
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0891 0.2321
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Plasmodium vivax DNA topoisomerase II, putative 0.0066 0.1674 0.1239
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0556 0.1354
Loa Loa (eye worm) hypothetical protein 0.0046 0.0915 0.1053
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0135 0.0156
Toxoplasma gondii DNA topoisomerase 2, putative 0.0066 0.1674 0.2394
Brugia malayi Bromodomain containing protein 0.0091 0.2615 0.2734
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0066 0.1674 0.1213
Schistosoma mansoni hypothetical protein 0.0035 0.0524 0.1702
Giardia lamblia DNA topoisomerase II 0.0057 0.1341 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.242 0.2786
Echinococcus multilocularis peregrin 0.0038 0.0632 0.1574
Onchocerca volvulus 0.0036 0.0556 0.0034
Schistosoma mansoni bromodomain containing protein 0.0076 0.2081 0.7765
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0162 0.5327 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1334 0.4855
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0097 0.2847 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1334 0.36
Brugia malayi Pre-SET motif family protein 0.0251 0.8688 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0066 0.1674 0.1213
Brugia malayi PHD-finger family protein 0.0035 0.0524 0.0232
Brugia malayi jmjC domain containing protein 0.0115 0.355 0.3852
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2655 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0556 0.0066
Brugia malayi Probable DNA topoisomerase II 0.0066 0.1674 0.1607
Loa Loa (eye worm) hypothetical protein 0.0049 0.1052 0.1211
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0524 0.1262
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0222 0.0391
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0066 0.1674 0.1213
Loa Loa (eye worm) hypothetical protein 0.0052 0.114 0.1312
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0556 0.1826
Brugia malayi Bromodomain containing protein 0.0046 0.0941 0.0731
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1045 0.2766
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.355 1
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0281 0.9806 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1918 0.5286
Loa Loa (eye worm) hypothetical protein 0.0046 0.0944 0.1087
Leishmania major mitochondrial DNA topoisomerase II 0.0162 0.5327 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8688 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1045 0.2766
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.355 1
Schistosoma mansoni DNA topoisomerase II 0.0066 0.1674 0.618
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0281 0.9806 0.5
Plasmodium falciparum DNA gyrase subunit B 0.0281 0.9806 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0915 0.1053
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0804 0.207
Mycobacterium ulcerans DNA gyrase subunit B 0.0281 0.9806 0.5
Plasmodium vivax SET domain protein, putative 0.0036 0.0556 0.0034
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0556 0.1826
Brugia malayi jmjC domain containing protein 0.0045 0.0891 0.0671
Schistosoma mansoni hypothetical protein 0.0025 0.0135 0.0188
Plasmodium falciparum DNA topoisomerase 2 0.0066 0.1674 0.1239
Loa Loa (eye worm) TOPoisomerase family member 0.0066 0.1674 0.1927
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.194 0.2233
Plasmodium vivax DNA gyrase subunit B, putative 0.0281 0.9806 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0506 0.1209
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1334 0.36
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0066 0.1674 0.1607
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0281 0.9806 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1334 0.4855
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0833 0.2155
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0066 0.1674 0.1607

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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 (functional) 11.2202 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 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) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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