Detailed information for compound 710336

Basic information

Technical information
  • TDR Targets ID: 710336
  • Name: 4-[(2,4-dichlorophenyl)carbamoyl]piperazine-1 -carboxylic acid ethyl ester
  • MW: 346.209 | Formula: C14H17Cl2N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1Cl)Cl
  • InChi: 1S/C14H17Cl2N3O3/c1-2-22-14(21)19-7-5-18(6-8-19)13(20)17-12-4-3-10(15)9-11(12)16/h3-4,9H,2,5-8H2,1H3,(H,17,20)
  • InChiKey: GNRNNMAJSPKQER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[(2,4-dichlorophenyl)amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
  • ethyl 4-[(2,4-dichlorophenyl)carbamoyl]piperazine-1-carboxylate
  • ethyl 4-{[(2,4-dichlorophenyl)amino]carbonyl}-1-piperazinecarboxylate
  • MLS000063379
  • Oprea1_376511
  • SMR000075102
  • ZINC00618071

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
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) nuclear receptor nhr-7B 0.0063 0.4514 0.4258
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0134 1 1
Brugia malayi tailless protein 0.0063 0.4514 0.4264
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0446 0.0168
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0134 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0134 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0063 0.4514 0.4354
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Loa Loa (eye worm) hypothetical protein 0.0071 0.5101 0.4873
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.5101 0.4878
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0134 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0134 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0063 0.4514 0.4258
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0134 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0134 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0134 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0134 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0063 0.4514 0.4354
Echinococcus granulosus Nuclear hormone receptor HR96 0.0063 0.4514 0.4354
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0063 0.4514 0.4264
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0071 0.5101 0.4873
Onchocerca volvulus 0.0063 0.4514 0.2875
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0134 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0446 0.0168
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0063 0.4514 0.2875
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0071 0.5101 0.5101
Brugia malayi nuclear hormone receptor 0.0134 1 1
Brugia malayi steroid hormone receptor 0.0134 1 1
Schistosoma mansoni zinc finger protein 0.0063 0.4514 0.4514
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Schistosoma mansoni cpg binding protein 0.0037 0.2453 0.2453
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Loa Loa (eye worm) hypothetical protein 0.0071 0.5101 0.4873
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Brugia malayi Nuclear hormone receptor E75 0.0063 0.4514 0.4264
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0134 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.4703 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0223 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0134 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.2453 0.2453
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0134 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0063 0.4514 0.4354
Loa Loa (eye worm) DR-78 0.0063 0.4514 0.4258
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0134 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 0.4514 0.4354
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0134 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Brugia malayi nuclear receptor RXR 0.0071 0.5101 0.4878
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0134 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0134 1 1
Schistosoma mansoni thyroid hormone receptor 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Schistosoma mansoni cpg binding protein 0.0035 0.23 0.23
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0134 1 1
Schistosoma mansoni nuclear hormone receptor 0.0063 0.4514 0.4514
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0071 0.5101 0.4959
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Schistosoma mansoni nuclear hormone receptor 0.0134 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0063 0.4514 0.4264
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0134 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0134 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0134 1 1
Brugia malayi hypothetical protein 0.0071 0.5101 0.4878
Schistosoma mansoni coup transcription factor 0.0134 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0223 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0134 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0134 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0282 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0134 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0134 1 1
Schistosoma mansoni nuclear receptor 0.0063 0.4514 0.4514
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Schistosoma mansoni nuclear hormone receptor 0.0063 0.4514 0.4514
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.2453 0.2234
Echinococcus granulosus nuclear receptor nhr 48 0.0063 0.4514 0.4354
Brugia malayi Nuclear hormone receptor E75 0.0063 0.4514 0.4264
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0063 0.4514 0.4264
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.5101 0.4873
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.5311 0.5311
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 0.4514 0.4354
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0134 1 1
Brugia malayi hypothetical protein 0.0063 0.4514 0.4264
Echinococcus granulosus FTZ F1 alpha 0.0134 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0063 0.4514 0.2875
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0134 1 1
Brugia malayi nuclear hormone receptor 0.0063 0.4514 0.4264
Schistosoma mansoni nuclear receptor 0.0063 0.4514 0.4514
Brugia malayi nuclear receptor RXR 0.0063 0.4514 0.4264
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Echinococcus granulosus Nuclear hormone receptor HR96 0.0063 0.4514 0.4354
Schistosoma mansoni nuclear receptor nhr-48 0.0063 0.4514 0.4514
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0134 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0134 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0134 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0063 0.4514 0.4514
Loa Loa (eye worm) nuclear hormone receptor 0.0063 0.4514 0.4258
Brugia malayi nuclear hormone receptor family member nhr-6 0.0063 0.4514 0.4264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0134 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0223 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0134 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0134 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0063 0.4514 0.4354
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Onchocerca volvulus 0.0063 0.4514 0.2875
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0223 0.5
Brugia malayi CXXC zinc finger family protein 0.0035 0.23 0.195
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0223 0.5
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0134 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Trichomonas vaginalis helicase, putative 0.0008 0.0223 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.5101 0.4873
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0134 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.23 0.1941
Schistosoma mansoni steroid hormone receptor ad4bp 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.5101 0.4873
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0071 0.5101 0.5101
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.4514 0.4258
Onchocerca volvulus 0.0134 1 1
Brugia malayi nuclear receptor NHR-88 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0223 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0134 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0063 0.4514 0.4354
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0063 0.4514 0.4354
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0134 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0134 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0223 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0223 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0134 1 1
Brugia malayi conserved hypotetical protein 0.0063 0.4514 0.4264
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0134 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0134 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0134 1 1
Schistosoma mansoni thyroid hormone receptor 0.0134 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0223 0.5
Brugia malayi hypothetical protein 0.0063 0.4514 0.4264
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0134 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0063 0.4514 0.4354
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0071 0.5101 0.4959
Brugia malayi nuclear receptor NHR-88 0.0063 0.4514 0.4264
Onchocerca volvulus Protein ultraspiracle homolog 0.0134 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0134 1 1
Brugia malayi hypothetical protein 0.0071 0.5101 0.4878
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.5101 0.4878
Loa Loa (eye worm) hypothetical protein 0.0134 1 1
Brugia malayi ecdysone receptor 0.0063 0.4514 0.4264
Echinococcus multilocularis cpg binding protein 0.0037 0.2453 0.2234
Brugia malayi nuclear receptor NHR-67 0.0063 0.4514 0.4264
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0063 0.4514 0.4514

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) 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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