TDR Targets

Basic information

Technical information

TDR Targets ID: 1336054
Name: 1-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl) -5-piperidin-4-ylpyrazole-4-carboxamide
MW: 410.46 | Formula: C23H24F2N4O
H donors: 2 H acceptors: 2 LogP: 3.8 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)F)n1ncc(c1C1CCNCC1)C(=O)Nc1cc(C)ccc1C
InChi: 1S/C23H24F2N4O/c1-14-3-4-15(2)20(11-14)28-23(30)18-13-27-29(21-6-5-17(24)12-19(21)25)22(18)16-7-9-26-10-8-16/h3-6,11-13,16,26H,7-10H2,1-2H3,(H,28,30)
InChiKey: AHUZVQNFIAGXQG-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-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)-5-(4-piperidyl)pyrazole-4-carboxamide
1-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide
1-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide
E922-0809
NCGC00126270-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470

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
Echinococcus multilocularis	neurogenic locus notch protein	0.1269	0.188	0.1638
Giardia lamblia	High cysteine protein	0.1269	0.188	0.5
Schistosoma mansoni	peroxidasin	0.5667	1	1
Echinococcus granulosus	protein jagged 1	0.1269	0.188	0.1638
Brugia malayi	Calcium binding EGF domain containing protein	0.1269	0.188	0.188
Brugia malayi	Blistered cuticle protein 3	0.5667	1	1
Echinococcus multilocularis	protein jagged 1	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Echinococcus multilocularis	neurogenic locus notch protein	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Echinococcus granulosus	delta-like protein 1	0.1269	0.188	0.1638
Brugia malayi	Animal haem peroxidase family protein	0.5667	1	1
Echinococcus multilocularis	protein jagged 2	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Brugia malayi	Cadherin domain containing protein	0.1269	0.188	0.188
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Brugia malayi	Calcium binding EGF domain containing protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Onchocerca volvulus		0.1269	0.188	0.1827
Echinococcus multilocularis	protein jagged 1	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Onchocerca volvulus	Dual oxidase homolog	0.5667	1	1
Brugia malayi	Delta serrate ligand family protein	0.1269	0.188	0.188
Loa Loa (eye worm)	animal heme peroxidase	0.5667	1	1
Echinococcus granulosus	neural cadherin	0.1269	0.188	0.1638
Echinococcus granulosus	neurogenic locus notch protein	0.1269	0.188	0.1638
Onchocerca volvulus	Peroxidase homolog	0.5667	1	1
Echinococcus granulosus	fibropellin Ia	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.0064	0.5
Echinococcus granulosus	protein jagged 2	0.1269	0.188	0.1638
Onchocerca volvulus		0.1269	0.188	0.1827
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Onchocerca volvulus	Putative cubilin	0.1269	0.188	0.1827
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Brugia malayi	EGF-like domain containing protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Onchocerca volvulus	Chorion peroxidase homolog	0.5667	1	1
Toxoplasma gondii	EGF family domain-containing protein	0.1269	0.188	0.5
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Onchocerca volvulus	Peroxidasin homolog	0.5667	1	1
Onchocerca volvulus	Peroxidasin homolog	0.5667	1	1
Echinococcus multilocularis	slit 2 protein	0.1269	0.188	0.1638
Brugia malayi	GCC2 and GCC3 family protein	0.1269	0.188	0.188
Echinococcus granulosus	protein jagged 2	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Brugia malayi	Cadherin domain containing protein	0.1269	0.188	0.188
Echinococcus multilocularis	notch	0.1269	0.188	0.1638
Brugia malayi	EGF-like domain containing protein	0.1269	0.188	0.188
Echinococcus granulosus	neurogenic locus notch protein 4	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Brugia malayi	notch-like transmembrane receptor	0.1269	0.188	0.188
Brugia malayi	Animal haem peroxidase family protein	0.5667	1	1
Echinococcus granulosus	slit 2 protein	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Onchocerca volvulus		0.5667	1	1
Brugia malayi	Animal haem peroxidase family protein	0.5667	1	1
Onchocerca volvulus		0.1269	0.188	0.1827
Brugia malayi	Animal haem peroxidase family protein	0.5667	1	1
Brugia malayi	EGF-like domain containing protein	0.1269	0.188	0.188
Brugia malayi	EGF-like domain containing protein	0.1269	0.188	0.188
Echinococcus multilocularis	peroxidasin	0.5667	1	1
Brugia malayi	Muscle positioning protein 4	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Onchocerca volvulus		0.1269	0.188	0.1827
Echinococcus multilocularis	neurogenic locus protein delta	0.1269	0.188	0.1638
Onchocerca volvulus		0.1269	0.188	0.1827
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.5667	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.5667	1	1
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Brugia malayi	EGF-like domain containing protein	0.1269	0.188	0.188
Onchocerca volvulus		0.5667	1	1
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Echinococcus multilocularis	neural cadherin	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Schistosoma mansoni	peroxidasin	0.5667	1	1
Brugia malayi	EGF-like domain containing protein	0.1269	0.188	0.188
Echinococcus multilocularis	fibropellin Ia	0.1269	0.188	0.1638
Echinococcus multilocularis	neurogenic locus protein delta	0.1269	0.188	0.1638
Onchocerca volvulus		0.5667	1	1
Onchocerca volvulus	Slit protein homolog	0.1269	0.188	0.1827
Brugia malayi	EGF-like domain containing protein	0.1269	0.188	0.188
Echinococcus multilocularis	fat cadherin tumor suppressor	0.1269	0.188	0.1638
Loa Loa (eye worm)	Notch2	0.1269	0.188	0.188
Echinococcus granulosus	protein jagged 1	0.1269	0.188	0.1638
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Brugia malayi	Peroxidasin	0.5667	1	1
Onchocerca volvulus	Peroxidase homolog	0.5667	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.5667	1	1
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Echinococcus granulosus	peroxidasin	0.5667	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.5667	1	1
Loa Loa (eye worm)	hypothetical protein	0.5667	1	1
Echinococcus granulosus	neurogenic locus protein delta	0.1269	0.188	0.1638
Loa Loa (eye worm)	notch protein	0.1269	0.188	0.188
Loa Loa (eye worm)	hypothetical protein	0.1269	0.188	0.188
Brugia malayi	Animal haem peroxidase family protein	0.5667	1	1
Onchocerca volvulus	Neurogenic locus notch homolog	0.1269	0.188	0.1827
Echinococcus multilocularis	neurogenic locus notch protein 4	0.1269	0.188	0.1638
Echinococcus granulosus	notch	0.1269	0.188	0.1638
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.1269	0.188	0.1827
Echinococcus granulosus	neurogenic locus notch protein	0.1269	0.188	0.1638

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 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)	23.2809 uM	PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (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

ChEMBL: CHEMBL1434209

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 1336054