TDR Targets

Basic information

Technical information

TDR Targets ID: 1390050
Name: N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benz amide
MW: 323.389 | Formula: C19H21N3O2
H donors: 1 H acceptors: 2 LogP: 2.32 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCN(CC1)c1ccccc1)CNC(=O)c1ccccc1
InChi: 1S/C19H21N3O2/c23-18(15-20-19(24)16-7-3-1-4-8-16)22-13-11-21(12-14-22)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,24)
InChiKey: IOCMDKJWOZEHAM-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]benzamide
N-[2-keto-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
1F-942
Oprea1_527709

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma mansoni	mixed-lineage leukemia protein mll	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
Toxoplasma gondii	histone lysine methyltransferase SET1	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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.1152	0.1054
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Schistosoma mansoni	coup transcription factor	0.0012	0.1152	0.1054
Schistosoma mansoni	nuclear receptor nhr-48	0.0006	0.0222	0.0114
Schistosoma mansoni	cpg binding protein	0.0035	0.4393	0.4331
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.1152	0.1711
Trichomonas vaginalis	helicase, putative	0.0008	0.0525	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.5657	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1152	0.1711
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1152	0.2229
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0322	0.0183
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0634	0.0531
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.1152	0.1711
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.1152	0.2229
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1152	0.1711
Entamoeba histolytica	hypothetical protein	0.0043	0.5657	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.1152	0.1711
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.1152	0.1054
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1152	0.2229
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0239
Onchocerca volvulus		0.0035	0.4393	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1152	0.2229
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.1152	0.2229
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.1152	0.1054
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.1152	0.1711
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.5657	0.5609
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1152	0.2229
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.8867	0.5
Schistosoma mansoni	nuclear receptor	0.0006	0.0222	0.0114
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0525	1
Entamoeba histolytica	hypothetical protein	0.0043	0.5657	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.1152	0.1711
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.1152	0.2229
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.1152	0.1711
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1152	0.2229
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0239
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.1152	0.1711
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1152	0.1711
Echinococcus multilocularis	cpg binding protein	0.0037	0.4678	0.8199
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1152	0.1711
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0634	0.0758
Brugia malayi	nuclear receptor RXR	0.0006	0.0322	0.0183
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.1152	0.1711
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.1152	0.2229
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1152	0.1054
Schistosoma mansoni	hypothetical protein	0.0043	0.5657	0.5609
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.1152	0.1054
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0322	0.0183
Echinococcus granulosus	cpg binding protein	0.0037	0.4678	0.8199
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.1152	0.1054
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0222	0.0114
Brugia malayi	ecdysteroid receptor	0.0012	0.1152	0.1711
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.1152	0.1711
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0322	0.0183
Brugia malayi	CXXC zinc finger family protein	0.0035	0.4393	0.7674
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1152	0.2229
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0939	0.1319
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.1152	0.2229
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.1152	0.1711
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0006	0.0222	0.0114
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0939	0.1719
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.1152	0.1711
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.1152	0.1054
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.1152	0.1711
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0239
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.1152	0.1054
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.1152	0.1711
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.1152	0.1711
Brugia malayi	hypothetical protein	0.0043	0.5657	1
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.1152	0.2229
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.4393	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.1152	0.1054
Brugia malayi	hypothetical protein	0.0006	0.0322	0.0183
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.1152	0.1711
Onchocerca volvulus		0.0012	0.1152	0.2229
Brugia malayi	hypothetical protein	0.0006	0.0322	0.0183
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1152	0.1054
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.1152	0.1711
Entamoeba histolytica	hypothetical protein	0.0043	0.5657	0.5
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.092	0.1283
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.1152	0.1711
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.1152	0.1711
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.5657	1
Schistosoma mansoni	cpg binding protein	0.0037	0.4678	0.4619
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.1152	0.2229
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.1152	0.1711
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0222	0.0114
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.1152	0.2229
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0634	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1152	0.2229
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0239
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0322	0.0215
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.1152	0.1711
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0525	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1152	0.1711
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0322	0.0239
Schistosoma mansoni	nuclear receptor	0.0006	0.0222	0.0114
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.1152	0.1054
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0634	0.0758
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.1152	0.1711
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.1152	0.1711
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.1152	0.1711
Schistosoma mansoni	cpg binding protein	0.0037	0.4678	0.4619
Brugia malayi	nuclear hormone receptor	0.0012	0.1152	0.1711
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.1152	0.1054
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1152	0.1711
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.1152	0.1711
Brugia malayi	nuclear receptor NHR-88	0.0012	0.1152	0.1711
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.1152	0.2229
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0322	0.0239
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0006	0.0222	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1152	0.2229
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Entamoeba histolytica	hypothetical protein	0.0043	0.5657	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.1152	0.1711
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.1152	0.2229
Schistosoma mansoni	zinc finger protein	0.0006	0.0222	0.0114
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.1152	0.1711
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.1152	0.1711
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0322	0.0183
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.1152	0.1711
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.1152	0.2229
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0939	0.1319
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0634	0.0758
Brugia malayi	steroid hormone receptor	0.0012	0.1152	0.1711
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0322	0.0215

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.9953 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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

ChEMBL: CHEMBL1528447

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.

Detailed information for compound 1390050