TDR Targets

Basic information

Technical information

TDR Targets ID: 1302475
Name: 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol -4-yl)-3-phenylprop-2-enamide
MW: 358.393 | Formula: C21H18N4O2
H donors: 1 H acceptors: 3 LogP: 3.94 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#C/C(=C\c1ccccc1)/C(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1
InChi: 1S/C21H18N4O2/c1-15-19(21(27)25(24(15)2)18-11-7-4-8-12-18)23-20(26)17(14-22)13-16-9-5-3-6-10-16/h3-13H,1-2H3,(H,23,26)/b17-13+
InChiKey: IOUXIAYYOLWARJ-GHRIWEEISA-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

(E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylprop-2-enamide
2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-phenyl-prop-2-enamide
(E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-phenyl-prop-2-enamide
2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-phenylprop-2-enamide
(E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-phenylprop-2-enamide
2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-3-phenyl-acrylamide
(E)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-3-phenyl-acrylamide
ZINC01452691
T5288939
MLS000772310
SMR000344501

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Schistosoma mansoni	dihydroorotate dehydrogenase	0.1671	1	1
Brugia malayi	Peroxidasin	0.0083	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.007	0.0068	0.0266
Echinococcus granulosus	survival motor neuron protein 1	0.0473	0.2569	0.6977
Echinococcus multilocularis	survival motor neuron protein 1	0.0473	0.2569	0.6977
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0149	0.0149
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0096	0.0234	0.0234
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0653	0.3682	0.5
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.1671	1	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0428	0.0428
Schistosoma mansoni	hypothetical protein	0.0074	0.0092	0.0092
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0653	0.3682	1
Brugia malayi	Zinc finger, C2H2 type family protein	0.0653	0.3682	0.3682
Loa Loa (eye worm)	animal heme peroxidase	0.0083	0.0149	0.0582
Loa Loa (eye worm)	blistered cuticle protein 3	0.0083	0.0149	0.0582
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0653	0.3682	1
Schistosoma mansoni	survival motor neuron protein	0.0096	0.0234	0.0234
Echinococcus granulosus	peroxidasin	0.0083	0.0149	0.0406
Loa Loa (eye worm)	animal heme peroxidase	0.0083	0.0149	0.0582
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0428	0.0428
Leishmania major	dihydroorotate dehydrogenase	0.1671	1	0.5
Loa Loa (eye worm)	RNA binding protein	0.0128	0.0428	0.1667
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0653	0.3682	1
Brugia malayi	hypothetical protein	0.0473	0.2569	0.2569
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0653	0.3682	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.0092	0.0092
Brugia malayi	TAR-binding protein	0.0128	0.0428	0.0428
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0428	0.0428
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1671	1	1
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0653	0.3682	1
Schistosoma mansoni	hypothetical protein	0.007	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.0092	0.025
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.0428	0.0428
Echinococcus granulosus	tar DNA binding protein	0.0128	0.0428	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0068	0.0068
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0653	0.3682	0.5
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1671	1	1
Plasmodium falciparum	dihydroorotate dehydrogenase	0.1671	1	0.5
Brugia malayi	hypothetical protein	0.0074	0.0092	0.0092
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1671	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.0269	0.0269
Schistosoma mansoni	peroxidasin	0.0083	0.0149	0.0149
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0428	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Brugia malayi	hypothetical protein	0.0151	0.0573	0.0573
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.1671	1	0.5
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.1671	1	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.0269	0.1046
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0428	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0473	0.2569	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Loa Loa (eye worm)	animal heme peroxidase	0.0083	0.0149	0.0582
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.0092	0.025
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.1671	1	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0653	0.3682	1
Onchocerca volvulus		0.0096	0.0234	0.1988
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Loa Loa (eye worm)	animal heme peroxidase	0.0083	0.0149	0.0582
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.0428	0.1163
Schistosoma mansoni	hypothetical protein	0.0096	0.0234	0.0234
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.0428	0.1667
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1671	1	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Onchocerca volvulus		0.0151	0.0573	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Echinococcus multilocularis	peroxidasin	0.0083	0.0149	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0269	0.1046
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.0269	0.0269
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.1671	1	0.5
Brugia malayi	RNA binding protein	0.0128	0.0428	0.0428
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0653	0.3682	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0149	0.0149
Brugia malayi	Blistered cuticle protein 3	0.0083	0.0149	0.0149
Schistosoma mansoni	peroxidasin	0.0083	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.1671	1	0.5
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0653	0.3682	0.5
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.1671	1	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0149	0.0149
Brugia malayi	hypothetical protein	0.0083	0.0149	0.0149
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.0428	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0149	0.0582
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0653	0.3682	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0083	0.0149	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0573	0.2229

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 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)	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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	446.6836 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

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: CHEMBL1410606

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1302475