Detailed information for compound 1471465

Basic information

Technical information
  • TDR Targets ID: 1471465
  • Name: 4-chloro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)e thyl]benzamide
  • MW: 357.834 | Formula: C19H20ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 2.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)NCC(=O)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C19H20ClN3O2/c20-16-8-6-15(7-9-16)19(25)21-14-18(24)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,25)
  • InChiKey: KOOMEWSHBUZPBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]benzamide
  • 4-chloro-N-[2-keto-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
  • Bionet1_000540
  • 1F-944
  • ZINC01397138
  • Oprea1_648612

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
Brugia malayi flavodoxin family protein 0.0026 0.0668 0.0668
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.015 0.015
Echinococcus multilocularis epidermal growth factor receptor 0.0147 0.8666 1
Chlamydia trachomatis sulfite reductase 0.0016 0 0.5
Schistosoma mansoni tyrosine kinase 0.0078 0.4102 0.4733
Entamoeba histolytica hypothetical protein 0.0036 0.1272 0.1139
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.3648 0.3648
Leishmania major macrophage migration inhibitory factor-like protein 0.0168 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0026 0.0668 0.0668
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0168 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0168 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.1272 0.1139
Schistosoma mansoni tyrosine kinase 0.0078 0.4102 0.4733
Loa Loa (eye worm) TK/INSR protein kinase 0.0047 0.2035 0.2035
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0026 0.0668 1
Giardia lamblia Macrophage migration inhibitory factor 0.0168 1 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0168 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.015 0.0174
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0026 0.0668 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0668 0.0668
Plasmodium vivax flavodoxin domain containing protein 0.0023 0.0469 0.0324
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.015 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0026 0.0668 1
Brugia malayi hypothetical protein 0.0036 0.1272 0.1272
Plasmodium falciparum nitric oxide synthase, putative 0.0026 0.0668 0.0525
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.015 0.0174
Trichomonas vaginalis sulfite reductase, putative 0.0026 0.0668 0.0525
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0026 0.0668 0.0771
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.3648 0.3648
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0026 0.0668 1
Entamoeba histolytica hypothetical protein 0.0036 0.1272 0.1139
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.015 0.0174
Schistosoma mansoni tyrosine kinase 0.0079 0.4157 0.4797
Trichomonas vaginalis conserved hypothetical protein 0.0168 1 1
Brugia malayi Protein kinase domain containing protein 0.0047 0.2035 0.2035
Echinococcus granulosus insulin receptor 0.0047 0.2035 0.2349
Schistosoma mansoni hypothetical protein 0.0036 0.1272 0.1468
Schistosoma mansoni tyrosine kinase 0.0078 0.4102 0.4733
Loa Loa (eye worm) TK/EGFR protein kinase 0.0147 0.8666 0.8666
Trypanosoma cruzi p450 reductase, putative 0.0026 0.0668 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0026 0.0668 0.0771
Schistosoma mansoni tyrosine kinase 0.0047 0.2035 0.2349
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0168 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0079 0.4157 0.4797
Entamoeba histolytica hypothetical protein 0.0036 0.1272 0.1139
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0026 0.0668 0.0771
Leishmania major macrophage migration inhibitory factor-like protein 0.0168 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1272 0.1468
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0047 0.2035 0.2349
Echinococcus granulosus epidermal growth factor receptor 0.0079 0.4157 0.4797
Echinococcus granulosus epidermal growth factor receptor 0.0147 0.8666 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.2035 0.2349
Schistosoma mansoni tyrosine kinase 0.0147 0.8666 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0026 0.0668 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1272 0.1468
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0026 0.0668 0.0525
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0026 0.0668 1
Leishmania major p450 reductase, putative 0.0026 0.0668 0.0525
Brugia malayi Furin-like cysteine rich region family protein 0.0147 0.8666 0.8666
Giardia lamblia Hypothetical protein 0.0023 0.0469 0.0324
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0026 0.0668 1
Echinococcus multilocularis epidermal growth factor receptor 0.0079 0.4157 0.4797
Leishmania major cytochrome P450 reductase, putative 0.0023 0.0469 0.0324
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.015 0.5
Echinococcus multilocularis 0.0046 0.1938 0.2236
Schistosoma mansoni ap endonuclease 0.0019 0.015 0.0174
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0026 0.0668 0.0771
Schistosoma mansoni cytochrome P450 reductase 0.0026 0.0668 0.0771
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.015 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1272 0.1468
Giardia lamblia Nitric oxide synthase, inducible 0.0023 0.0469 0.0324
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.015 0.015
Echinococcus multilocularis insulin receptor 0.0047 0.2035 0.2349
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0026 0.0668 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0023 0.0469 0.0324
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0026 0.0668 0.0525
Schistosoma mansoni tyrosine kinase 0.0047 0.2035 0.2349
Plasmodium falciparum macrophage migration inhibitory factor 0.0168 1 1
Schistosoma mansoni tyrosine kinase 0.0079 0.4157 0.4797
Brugia malayi FAD binding domain containing protein 0.0026 0.0668 0.0668
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0168 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 28.1838 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.