Detailed information for compound 101174

Basic information

Technical information
  • TDR Targets ID: 101174
  • Name: 1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dic arboxamide
  • MW: 476.569 | Formula: C30H28N4O2
  • H donors: 0 H acceptors: 2 LogP: 5.25 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(c1ccccc1)c1ccccc1)N1CCN(CC1)C(=O)N(c1ccccc1)c1ccccc1
  • InChi: 1S/C30H28N4O2/c35-29(33(25-13-5-1-6-14-25)26-15-7-2-8-16-26)31-21-23-32(24-22-31)30(36)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
  • InChiKey: NGYTWXMTJVOFHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N1,N1,N4,N4-tetraphenylpiperazine-1,4-dicarboxamide
  • N,N,N',N'-tetraphenylpiperazine-1,4-dicarboxamide
  • N,N,N',N'-tetra(phenyl)piperazine-1,4-dicarboxamide
  • STOCK3S-47870
  • Oprea1_857214
  • Oprea1_821457

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Angiotensin II type 2 (AT-2) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis allatostatin A receptor Angiotensin II type 2 (AT-2) receptor   363 aa 342 aa 24.6 %
Schistosoma mansoni adenoreceptor Angiotensin II type 2 (AT-2) receptor   363 aa 328 aa 22.0 %
Schistosoma mansoni peptide (allatostatin)-like receptor Angiotensin II type 2 (AT-2) receptor   363 aa 364 aa 20.9 %
Echinococcus granulosus thyrotropin releasing hormone receptor Angiotensin II type 2 (AT-2) receptor   363 aa 308 aa 22.1 %
Schistosoma japonicum Rhodopsin, putative Angiotensin II type 2 (AT-2) receptor   363 aa 341 aa 22.0 %
Echinococcus granulosus neuropeptide receptor Angiotensin II type 2 (AT-2) receptor   363 aa 306 aa 22.2 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Angiotensin II type 2 (AT-2) receptor   363 aa 308 aa 21.8 %
Echinococcus granulosus allatostatin A receptor Angiotensin II type 2 (AT-2) receptor   363 aa 340 aa 24.1 %
Onchocerca volvulus Angiotensin II type 2 (AT-2) receptor   363 aa 311 aa 23.8 %
Loa Loa (eye worm) neuropeptide F receptor Angiotensin II type 2 (AT-2) receptor   363 aa 356 aa 23.3 %
Onchocerca volvulus Angiotensin II type 2 (AT-2) receptor   363 aa 305 aa 21.6 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Angiotensin II type 2 (AT-2) receptor   363 aa 398 aa 18.3 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Angiotensin II type 2 (AT-2) receptor   363 aa 398 aa 18.1 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Angiotensin II type 2 (AT-2) receptor   363 aa 310 aa 23.5 %
Onchocerca volvulus Angiotensin II type 2 (AT-2) receptor   363 aa 306 aa 22.5 %
Echinococcus multilocularis neuropeptide receptor Angiotensin II type 2 (AT-2) receptor   363 aa 308 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 37 nM Inhibition of Angiotensin II receptor, type 2 in rat midbrain using [125I]-Sar1,Ile8 angiotensin II binding assay ChEMBL. No reference
IC50 (binding) = 37 nM Inhibition of Angiotensin II receptor, type 2 in rat midbrain using [125I]-Sar1,Ile8 angiotensin II binding assay ChEMBL. No reference
IC50 (binding) > 100000 nM Inhibition of angiotensin Angiotensin II receptor, type 1 in rabbit aorta using [125I-Sar1,Ile8] angiotensin II binding assay ChEMBL. No reference
IC50 (binding) > 100000 nM Inhibition of angiotensin Angiotensin II receptor, type 1 in rabbit aorta using [125I-Sar1,Ile8] angiotensin II binding assay 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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