Detailed information for compound 1145818

Basic information

Technical information
  • TDR Targets ID: 1145818
  • Name: 2-[4-[3-[5-chloro-2-(2-phenylethoxy)phenyl]pr opyl]piperazin-1-yl]pyrimidine
  • MW: 436.977 | Formula: C25H29ClN4O
  • H donors: 0 H acceptors: 2 LogP: 5.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)CCCN1CCN(CC1)c1ncccn1)OCCc1ccccc1
  • InChi: 1S/C25H29ClN4O/c26-23-9-10-24(31-19-11-21-6-2-1-3-7-21)22(20-23)8-4-14-29-15-17-30(18-16-29)25-27-12-5-13-28-25/h1-3,5-7,9-10,12-13,20H,4,8,11,14-19H2
  • InChiKey: OIVUHYORRWTYGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[3-[5-chloro-2-(2-phenylethoxy)phenyl]propyl]-1-piperazinyl]pyrimidine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 COUP TF:Svp nuclear hormone receptor 0.0022 0.0098 0.0098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0098 0.0126
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0098 0.0126
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0098 0.0098
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0098 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0098 0.0126
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.2396 0.3079
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.0435 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0098 0.0126
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0098 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0098 0.0126
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0098 0.0126
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.2396 0.2396
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0098 0.0126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0098 0.0126
Brugia malayi ecdysteroid receptor 0.0022 0.0098 0.0126
Echinococcus granulosus expressed protein 0.0034 0.0459 0.0459
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0098 0.0126
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0098 0.0098
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0098 0.0126
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0098 0.0098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0098 0.0126
Loa Loa (eye worm) hypothetical protein 0.0133 0.3427 0.4405
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0098 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0098 0.0126
Echinococcus multilocularis geminin 0.0351 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.2396 0.2396
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0098 0.0126
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0098 0.0098
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0098 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0098 0.0126
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0098 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0098 0.0126
Brugia malayi hypothetical protein 0.0133 0.3427 0.4405
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0098 0.0098
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0435 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0459 0.059
Brugia malayi nuclear receptor NHR-88 0.0022 0.0098 0.0126
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Trichomonas vaginalis rotamase, putative 0.0034 0.0459 1
Schistosoma mansoni coup transcription factor 0.0022 0.0098 0.0098
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0098 0.0098
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0098 0.0098
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0459 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0126
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0098 0.0126
Loa Loa (eye worm) hypothetical protein 0.0133 0.3427 0.4405
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0098 0.0098
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0098 0.0098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0098 0.0126
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.2396 0.2396
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0098 0.0098
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0098 0.0126
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0098 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2396 0.2396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.2396 0.2396
Echinococcus multilocularis expressed protein 0.0034 0.0459 0.0459
Schistosoma mansoni hypothetical protein 0.0351 1 1
Schistosoma mansoni rotamase 0.0034 0.0459 0.0459
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0098 0.0126
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0098 0.0098
Brugia malayi steroid hormone receptor 0.0022 0.0098 0.0126
Onchocerca volvulus Huntingtin homolog 0.0133 0.3427 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0098 0.0098
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0435 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0098 0.0126
Onchocerca volvulus Huntingtin homolog 0.0133 0.3427 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0435 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0098 0.0126
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0098 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2396 0.2396
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0098 0.0098
Trichomonas vaginalis rotamase, putative 0.0033 0.0435 0.9477
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0278 0.7781 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0126
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0459 0.059
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0098 0.0126
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0126
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0126
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2396 0.2396
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0098 0.0098
Brugia malayi nuclear hormone receptor 0.0022 0.0098 0.0126
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0098 0.0098
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0098 0.0098
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0098 0.0098
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0098 0.0098
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0435 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0126
Brugia malayi photoreceptor-specific nuclear receptor 0.0278 0.7781 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.2396 0.3079
Schistosoma mansoni hypothetical protein 0.0351 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0435 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0098 0.0126

Activities

No activities found for this compound.

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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