TDR Targets

Basic information

Technical information

TDR Targets ID: 1429145
Name: 1-(4-fluorophenyl)-4-(6-nitropyridin-3-yl)pip erazine
MW: 302.304 | Formula: C15H15FN4O2
H donors: 0 H acceptors: 3 LogP: 2.83 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)N1CCN(CC1)c1ccc(nc1)[N+](=O)[O-]
InChi: 1S/C15H15FN4O2/c16-12-1-3-13(4-2-12)18-7-9-19(10-8-18)14-5-6-15(17-11-14)20(21)22/h1-6,11H,7-10H2
InChiKey: DTXILROAQMVNOG-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

1-(4-fluorophenyl)-4-(6-nitro-3-pyridyl)piperazine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	EYA transcriptional coactivator and phosphatase 2	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Schistosoma mansoni	eyes absent homolog	Get druggable targets OG5_129664	All targets in OG5_129664
Brugia malayi	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative	Get druggable targets OG5_129664	All targets in OG5_129664

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0045	0.0068	0.0103
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0175	0.2691	0.4042
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0045	0.0068	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0383	0.0383
Brugia malayi	p70 ribosomal S6 kinase beta	0.051	0.944	0.944
Entamoeba histolytica	protein kinase, putative	0.0538	1	1
Entamoeba histolytica	protein kinase 2, putative	0.0339	0.5997	0.4524
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0175	0.2691	0.2691
Echinococcus multilocularis	nervana 2	0.0335	0.5921	0.902
Brugia malayi	Protein kinase domain containing protein	0.0175	0.2691	0.2691
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0335	0.5921	0.902
Brugia malayi	protein kinase C II.	0.0175	0.2691	0.2691
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0045	0.0068	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0045	0.0068	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0045	0.0068	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0063	0.0437	0.0437
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.2691	0.0103
Echinococcus granulosus	serine threonine protein kinase nrc	0.0339	0.5997	0.9137
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1313	0.1313
Trichomonas vaginalis	AGC family protein kinase	0.0538	1	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0175	0.2691	0.4042
Mycobacterium leprae	Conserved hypothetical protein	0.0045	0.0068	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0339	0.5997	0.9137
Echinococcus granulosus	protein kinase c epsilon type	0.0175	0.2691	0.4042
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.2691	0.0103
Brugia malayi	Cytochrome P450 family protein	0.0063	0.0437	0.0437
Echinococcus granulosus	nervana 2	0.0335	0.5921	0.902
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0367	0.6557	0.529
Trypanosoma cruzi	cytochrome P450, putative	0.0063	0.0437	0.057
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1313	0.1313
Trichomonas vaginalis	AGC family protein kinase	0.0203	0.3251	0.0861
Echinococcus multilocularis	protein kinase c iota type	0.0175	0.2691	0.4042
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0045	0.0068	0.5
Schistosoma mansoni	eyes absent homolog	0.0106	0.1313	0.2003
Trichomonas vaginalis	AGC family protein kinase	0.0538	1	1
Loa Loa (eye worm)	cytochrome P450	0.0045	0.0068	0.0068
Schistosoma mansoni	serine/threonine protein kinase	0.0175	0.2691	0.4103
Echinococcus granulosus	muscleblind protein	0.018	0.2802	0.4213
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0339	0.5997	0.9137
Brugia malayi	Muscleblind-like protein	0.018	0.2802	0.2802
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0045	0.0068	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0175	0.2691	0.4103
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0045	0.0068	0.5
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0335	0.5921	0.902
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0045	0.0068	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0045	0.0068	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0045	0.0068	0.5
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0175	0.2691	0.4042
Schistosoma mansoni	serine/threonine protein kinase	0.0175	0.2691	0.4103
Echinococcus granulosus	protein kinase C gamma type	0.0175	0.2691	0.4042
Brugia malayi	Cytochrome P450 family protein	0.0063	0.0437	0.0437
Echinococcus multilocularis	serine threonine protein kinase	0.0175	0.2691	0.4042
Entamoeba histolytica	protein kinase, putative	0.051	0.944	0.9234
Brugia malayi	Hr1 repeat family protein	0.0175	0.2691	0.2691
Echinococcus granulosus	serine:threonine protein kinase N2	0.0175	0.2691	0.4042
Leishmania major	cytochrome p450-like protein	0.0063	0.0437	1
Trichomonas vaginalis	AGC family protein kinase	0.0175	0.2691	0.0103
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0045	0.0068	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0175	0.2691	0.4103
Schistosoma mansoni	serine/threonine-protein kinase	0.0367	0.6557	1
Echinococcus multilocularis	muscleblind protein 1	0.018	0.2802	0.4213
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0063	0.0437	1
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0175	0.2691	0.2691
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0339	0.5997	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0175	0.2691	0.4103
Echinococcus multilocularis	Glutaredoxin protein 5	0.0335	0.5921	0.902
Trichomonas vaginalis	AGC family protein kinase	0.0538	1	1
Echinococcus granulosus	Glutaredoxin protein 5	0.0335	0.5921	0.902
Schistosoma mansoni	serine/threonine kinase	0.0175	0.2691	0.4103
Trichomonas vaginalis	AGC family protein kinase	0.0538	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0045	0.0068	0.5
Brugia malayi	Cytochrome P450 family protein	0.0165	0.2483	0.2483
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0045	0.0068	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	0.2802	0.2802
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0175	0.2691	0.4042
Loa Loa (eye worm)	hypothetical protein	0.018	0.2802	0.2802
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0175	0.2691	0.4042
Loa Loa (eye worm)	CYP4Cod1	0.0063	0.0437	0.0437
Schistosoma mansoni	serine/threonine protein kinase	0.0175	0.2691	0.4103
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0383	0.0383
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0175	0.2691	0.4042
Mycobacterium leprae	putative cytochrome p450	0.0045	0.0068	0.5
Giardia lamblia	Kinase, AGC PKA	0.0339	0.5997	0.5
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0367	0.6557	1
Trichomonas vaginalis	AGC family protein kinase	0.0538	1	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0175	0.2691	0.4042
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0383	0.0383
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0175	0.2691	0.2691
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0367	0.6557	0.529
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0045	0.0068	0.5
Brugia malayi	hypothetical protein	0.0106	0.1313	0.1313
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0339	0.5997	0.5
Echinococcus granulosus	Protein kinase C brain isozyme	0.0175	0.2691	0.4042
Loa Loa (eye worm)	hypothetical protein	0.006	0.0383	0.0383
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0175	0.2691	0.2691
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0175	0.2691	0.2691
Schistosoma mansoni	serine/threonine protein kinase	0.0175	0.2691	0.4103
Trichomonas vaginalis	AGC family protein kinase	0.0538	1	1
Toxoplasma gondii	AGC kinase	0.051	0.944	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0045	0.0068	0.5
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0538	1	1
Trypanosoma cruzi	Protein kinase B	0.0367	0.6557	1
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0339	0.5997	0.9137
Echinococcus multilocularis	rac serine:threonine kinase	0.0367	0.6557	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0538	1	1
Brugia malayi	Cytochrome P450 family protein	0.0045	0.0068	0.0068
Schistosoma mansoni	cytochrome P450	0.0045	0.0068	0.0103
Schistosoma mansoni	atypical protein kinase C	0.0175	0.2691	0.4103
Echinococcus granulosus	NDR protein kinase	0.0175	0.2691	0.4042
Loa Loa (eye worm)	cytochrome P450 family protein	0.0165	0.2483	0.2483
Echinococcus multilocularis	muscleblind protein	0.018	0.2802	0.4213
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0175	0.2691	0.4042
Echinococcus granulosus	serine/threonine protein kinase	0.0367	0.6557	1
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0175	0.2691	0.4042
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0045	0.0068	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0045	0.0068	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0063	0.0437	0.057
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0045	0.0068	0.5
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.051	0.944	0.944
Echinococcus granulosus	protein kinase c iota type	0.0175	0.2691	0.4042
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0175	0.2691	0.4042
Loa Loa (eye worm)	cytochrome P450 family protein	0.0063	0.0437	0.0437
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0045	0.0068	0.5
Echinococcus granulosus	nervana 2	0.0335	0.5921	0.902
Trichomonas vaginalis	AGC family protein kinase	0.0538	1	1
Trypanosoma brucei	cytochrome P450, putative	0.0063	0.0437	0.0372
Echinococcus multilocularis	protein kinase c epsilon type	0.0175	0.2691	0.4042
Entamoeba histolytica	protein kinase, putative	0.0538	1	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0045	0.0068	0.5
Schistosoma mansoni	serine/threonine-protein kinase	0.0367	0.6557	1
Echinococcus multilocularis	nervana 2	0.0335	0.5921	0.902
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0175	0.2691	0.2691
Brugia malayi	cytochrome P450	0.0045	0.0068	0.0068
Brugia malayi	Protein kinase domain containing protein	0.0175	0.2691	0.2691
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2691	0.2691

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	2.5119 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	79.4328 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
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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

ChEMBL: CHEMBL1578959

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 1429145