Detailed information for compound 1193594

Basic information

Technical information
  • TDR Targets ID: 1193594
  • Name: 4-ethyl-N,N-di(phenyl)piperazine-1-carboxamid e
  • MW: 309.405 | Formula: C19H23N3O
  • H donors: 0 H acceptors: 1 LogP: 3.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(=O)N(c1ccccc1)c1ccccc1
  • InChi: 1S/C19H23N3O/c1-2-20-13-15-21(16-14-20)19(23)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
  • InChiKey: DQLNXBHQFVPAOD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-ethyl-N,N-di(phenyl)-1-piperazinecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
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 photoreceptor-specific nuclear receptor related 0.0022 0.0299 0.0423
Loa Loa (eye worm) beta-lactamase 0.0035 0.0907 0.0907
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0299 0.0299
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0299 0.0299
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0299 0.0299
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0907 0.0907
Toxoplasma gondii ABC1 family protein 0.0035 0.0907 1
Echinococcus multilocularis survival motor neuron protein 1 0.0232 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.605 0.605
Mycobacterium ulcerans beta-lactamase 0.0035 0.0907 1
Schistosoma mansoni ap endonuclease 0.0023 0.0324 0.0459
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0299 0.0299
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0299 0.0299
Schistosoma mansoni coup transcription factor 0.0022 0.0299 0.0423
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0324 0.0324
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0299 0.0299
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0299 0.0299
Mycobacterium tuberculosis Conserved protein 0.0035 0.0907 0.0935
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0299 0.0423
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0324 0.0324
Schistosoma mansoni ap endonuclease 0.0023 0.0324 0.0459
Echinococcus granulosus geminin 0.0168 0.706 0.706
Schistosoma mansoni survival motor neuron protein 0.0047 0.1462 0.2071
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0299 0.0299
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0324 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0299 0.0299
Mycobacterium ulcerans hypothetical protein 0.0035 0.0907 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0324 0.3572
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0299 0.0299
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0299 0.0299
Leishmania major hypothetical protein, conserved 0.0035 0.0907 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0299 0.0299
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.2559 0.2559
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0299 0.0299
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0299 0.0299
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0907 0.0935
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0299
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0299 0.0299
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0907 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0324 0.0334
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0299 0.0299
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0907 0.0907
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0299 0.0299
Echinococcus multilocularis muscleblind protein 1 0.0147 0.605 0.605
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.0907
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0299 0.0299
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0907 0.1285
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0299 0.0423
Brugia malayi nuclear receptor NHR-88 0.0022 0.0299 0.0299
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0907 0.0907
Mycobacterium tuberculosis Conserved protein 0.0035 0.0907 0.0935
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0299 0.0423
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.0907
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0299 0.0423
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0299 0.0299
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.0907
Brugia malayi beta-lactamase family protein 0.0035 0.0907 0.0907
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0299 0.0299
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0299 0.0423
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0299
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0324 0.3572
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0324 0.5
Onchocerca volvulus 0.0035 0.0907 0.5232
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0147 0.605 0.605
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0907 0.0935
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0299
Brugia malayi ecdysteroid receptor 0.0022 0.0299 0.0299
Brugia malayi beta-lactamase 0.0035 0.0907 0.0907
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.0907
Entamoeba histolytica hypothetical protein 0.0071 0.2559 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0907 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0299
Onchocerca volvulus 0.0047 0.1462 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0907 0.0935
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0907 0.0935
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.9708 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0299
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0299 0.0299
Mycobacterium leprae Probable lipase LipE 0.0035 0.0907 0.5
Echinococcus multilocularis geminin 0.0168 0.706 0.706
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0907 0.0935
Toxoplasma gondii exonuclease III APE 0.0023 0.0324 0.3572
Brugia malayi nuclear hormone receptor 0.0022 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.0907
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0299 0.0423
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0907 0.5
Mycobacterium ulcerans lipase LipD 0.0035 0.0907 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0299 0.0299
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0299 0.0299
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0299 0.0299
Mycobacterium tuberculosis Conserved protein 0.0035 0.0907 0.0935
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0907 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0324 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0299 0.0299
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0299 0.0299
Onchocerca volvulus 0.0035 0.0907 0.5232
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0299 0.0299
Entamoeba histolytica hypothetical protein 0.0071 0.2559 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0907 1
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0299 0.0299
Echinococcus granulosus muscleblind protein 0.0147 0.605 0.605
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0299
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1462 0.1462
Schistosoma mansoni hypothetical protein 0.0071 0.2559 0.3625
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0324 0.3572
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0299 0.0423
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0299 0.0299
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0907 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0324 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0907 0.0935
Schistosoma mansoni hypothetical protein 0.0168 0.706 1
Brugia malayi steroid hormone receptor 0.0022 0.0299 0.0299
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0907 0.0935
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.2559 0.3625
Schistosoma mansoni hypothetical protein 0.0047 0.1462 0.2071
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.2559 0.2559
Echinococcus granulosus survival motor neuron protein 1 0.0232 1 1
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0299 0.0299
Brugia malayi Muscleblind-like protein 0.0147 0.605 0.605
Entamoeba histolytica hypothetical protein 0.0071 0.2559 1
Brugia malayi beta-lactamase family protein 0.0035 0.0907 0.0907
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0299 0.0423
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0907 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0299 0.0299
Entamoeba histolytica hypothetical protein 0.0071 0.2559 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0907 0.0907
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0324 0.3572
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0907 1
Trichomonas vaginalis esterase, putative 0.0035 0.0907 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0299 0.0299
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0299 0.0299
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0299 0.0423
Echinococcus multilocularis muscleblind protein 0.0147 0.605 0.605
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0299 0.0299
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0907 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0299
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0299 0.0423
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0907 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0907 0.0907
Loa Loa (eye worm) hypothetical protein 0.0232 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0299 0.0299
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0299 0.0299
Schistosoma mansoni hypothetical protein 0.0168 0.706 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0907 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0299 0.0299
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0907 0.1285
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0299
Brugia malayi hypothetical protein 0.0071 0.2559 0.2559
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0299 0.0423
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0907 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0299 0.0299
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0324 0.3572
Onchocerca volvulus 0.0035 0.0907 0.5232

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0053 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 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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