TDR Targets

Basic information

Technical information

TDR Targets ID: 501137
Name: (E)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphe nyl)pyrazol-3-yl]-2-phenylprop-2-enoic acid
MW: 465.328 | Formula: C25H18Cl2N2O3
H donors: 1 H acceptors: 3 LogP: 6.4 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)n1nc(cc1c1ccc(c(c1)Cl)Cl)/C=C(\c1ccccc1)/C(=O)O
InChi: 1S/C25H18Cl2N2O3/c1-32-20-10-8-19(9-11-20)29-24(17-7-12-22(26)23(27)13-17)15-18(28-29)14-21(25(30)31)16-5-3-2-4-6-16/h2-15H,1H3,(H,30,31)/b21-14+
InChiKey: RZZKSMCNLHZEHM-KGENOOAVSA-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)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-phenyl-prop-2-enoic acid
(E)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]-2-phenyl-2-propenoic acid
(E)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-phenyl-acrylic acid
(E)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]-2-phenylprop-2-enoic acid

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
Brugia malayi	Histone-lysine N-methyltransferase, H3 lysine-79 specific	0.0129	0.1233	0.1209
Entamoeba histolytica	hypothetical protein	0.0046	0.0236	0.0351
Echinococcus multilocularis	S adenosylmethionine decarboxylase proenzyme	0.0778	0.9122	0.9119
Trypanosoma brucei	S-adenosylmethionine decarboxylase proenzyme, putative	0.0778	0.9122	1
Trypanosoma brucei	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0442
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.004	0.0154	0.0007
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Leishmania major	hypothetical protein, conserved	0.0115	0.1071	0.1143
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0148	0.0162
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.004	0.0154	0.0122
Echinococcus granulosus	S adenosylmethionine decarboxylase proenzyme	0.0778	0.9122	0.9119
Entamoeba histolytica	hypothetical protein	0.006	0.0403	0.1021
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Entamoeba histolytica	hypothetical protein	0.006	0.0403	0.1021
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0039	0.0148	0.0654
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Schistosoma mansoni	tsg101-related	0.03	0.3317	0.3295
Schistosoma mansoni	serine/threonine protein kinase	0.004	0.0154	0.0122
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0443	0.0329
Entamoeba histolytica	hypothetical protein	0.006	0.0403	0.1021
Trypanosoma brucei	DNA polymerase eta, putative	0.0039	0.0148	0.0162
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0443	0.0329
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0443	0.0413
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0443	0.0413
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.004	0.0154	0.0007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Leishmania major	S-adenosylmethionine decarboxylase	0.0778	0.9122	1
Leishmania major	protein kinase A catalytic subunit	0.004	0.0154	0.0134
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.036	0.4049	0.403
Loa Loa (eye worm)	hypothetical protein	0.036	0.4049	0.4347
Echinococcus multilocularis	histone h3 methyltransferase	0.0129	0.1233	0.1205
Leishmania major	DNA polymerase kappa, putative	0.0039	0.0148	0.0127
Loa Loa (eye worm)	hypothetical protein	0.004	0.0154	0.0007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Schistosoma mansoni	tsg101-related	0.03	0.3317	0.3295
Brugia malayi	MH2 domain containing protein	0.0119	0.1113	0.1076
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0236	0.0098
Echinococcus granulosus	dna polymerase eta	0.0039	0.0148	0.0116
Plasmodium vivax	S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative	0.0379	0.4274	1
Entamoeba histolytica	hypothetical protein	0.006	0.0403	0.1021
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0046	0.0236	0.0098
Loa Loa (eye worm)	AGC/PKA protein kinase	0.004	0.0154	0.0007
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.004	0.0154	0.0007
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0039	0.0148	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Schistosoma mansoni	tsg101-related	0.0245	0.2649	0.2625
Brugia malayi	RNA binding protein	0.0064	0.0443	0.0329
Plasmodium falciparum	S-adenosylmethionine decarboxylase/ornithine decarboxylase	0.0379	0.4274	1
Trypanosoma brucei	S-adenosylmethionine decarboxylase	0.0778	0.9122	1
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.004	0.0154	0.0287
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.0148	0.5
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.004	0.0154	0.0122
Trypanosoma brucei	S-adenosylmethionine decarboxylase	0.0778	0.9122	1
Schistosoma mansoni	histone J3 methyltransferase	0.0129	0.1233	0.1205
Schistosoma mansoni	hypothetical protein	0.085	1	1
Entamoeba histolytica	arginine N-methyltransferase protein, putative	0.0046	0.0236	0.0351
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0443	0.0413
Leishmania major	DNA polymerase eta, putative	0.0039	0.0148	0.0127
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.1113	0.1076
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	0.004	0.0154	0.0169
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0443	0.0413
Mycobacterium ulcerans	DNA polymerase IV	0.0039	0.0148	0.5
Brugia malayi	S-adenosylmethionine decarboxylase proenzyme	0.0778	0.9122	1
Echinococcus granulosus	histone h3 methyltransferase	0.0129	0.1233	0.1205
Trypanosoma brucei	protein kinase A catalytic subunit, putative	0.004	0.0154	0.0169
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0039	0.0148	0.0116
Trypanosoma cruzi	hypothetical protein, conserved	0.006	0.0403	0.0284
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Leishmania major	protein kinase A catalytic subunit isoform 1	0.004	0.0154	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0129	0.1233	0.1209
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Toxoplasma gondii	AGC kinase	0.004	0.0154	1
Brugia malayi	hypothetical protein	0.0046	0.0236	0.0098
Entamoeba histolytica	PH domain containing protein kinase, putative	0.004	0.0154	0.0024
Trichomonas vaginalis	AGC family protein kinase	0.004	0.0154	0.0687
Entamoeba histolytica	PH domain containing protein kinase, putative	0.004	0.0154	0.0024
Trypanosoma brucei	Vps23 core domain containing protein, putative	0.0115	0.1071	0.1174
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.004	0.0154	0.0007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Echinococcus granulosus	enhancer of mRNA decapping protein 4	0.0039	0.0149	0.0117
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0443	0.0413
Mycobacterium ulcerans	DNA polymerase IV	0.0039	0.0148	0.5
Trichomonas vaginalis	DNA polymerase eta, putative	0.0039	0.0148	0.0654
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.004	0.0154	0.0287
Schistosoma mansoni	DNA polymerase eta	0.0039	0.0148	0.0116
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.036	0.4049	0.403
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	0.004	0.0154	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0054	0.033	0.0203
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0039	0.0148	0.0127
Trypanosoma brucei	Protein arginine N-methyltransferase 1 catalytic subunit	0.0046	0.0236	0.0258
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0039	0.0148	0.0116
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0039	0.0148	0.0116
Schistosoma mansoni	serine/threonine protein kinase	0.004	0.0154	0.0122
Trichomonas vaginalis	conserved hypothetical protein	0.006	0.0403	0.2095
Trypanosoma brucei	unspecified product	0.0039	0.0148	0.0162
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	0.004	0.0154	0.0169
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0443	0.0329
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0148	0.0162
Toxoplasma gondii	AGC kinase	0.004	0.0154	1
Echinococcus multilocularis	dna polymerase kappa	0.0039	0.0148	0.0116
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.004	0.0154	0.0122
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0443	0.0413
Brugia malayi	TAR-binding protein	0.0064	0.0443	0.0329
Trypanosoma cruzi	S-adenosylmethionine decarboxylase proenzyme, putative	0.0778	0.9122	1
Schistosoma mansoni	hypothetical protein	0.085	1	1
Echinococcus multilocularis	geminin	0.085	1	1
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.004	0.0154	0.0122
Trypanosoma cruzi	hypothetical protein, conserved	0.006	0.0403	0.0284
Trichomonas vaginalis	hypothetical protein	0.0176	0.1803	1
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.004	0.0154	0.0122
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0443	0.0329
Trichomonas vaginalis	conserved hypothetical protein	0.006	0.0403	0.2095
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0245	0.2649	1
Trypanosoma cruzi	Vps23 core domain containing protein, putative	0.0115	0.1071	0.1029
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0148	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0443	0.0413
Schistosoma mansoni	serine/threonine protein kinase	0.004	0.0154	0.0122
Brugia malayi	hypothetical protein	0.036	0.4049	0.4347
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.004	0.0154	0.0122
Giardia lamblia	Kinase, AGC PKA	0.004	0.0154	1
Loa Loa (eye worm)	AGC/PKA protein kinase	0.004	0.0154	0.0007
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.1113	0.1076
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.004	0.0154	0.0122
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	0.0039	0.0149	0.0117
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0148	0.0162
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0046	0.0236	0.0098
Echinococcus multilocularis	dna polymerase eta	0.0039	0.0148	0.0116
Leishmania major	protein kinase A catalytic subunit isoform 2	0.004	0.0154	0.0134
Loa Loa (eye worm)	S-adenosylmethionine decarboxylase proenzyme	0.0778	0.9122	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0039	0.0148	0.0116
Echinococcus granulosus	dna polymerase kappa	0.0039	0.0148	0.0116
Trypanosoma cruzi	S-adenosylmethionine decarboxylase proenzyme, putative	0.0778	0.9122	1
Brugia malayi	Cytochrome P450 family protein	0.0054	0.033	0.0203
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.006	0.0403	0.0284
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0814	0.956	0.9558
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.004	0.0154	0.0007

Activities

Activity type	Activity value	Assay description	Source	Reference
Stabilty	= 80 %	Stability of the compound in solution at 0.01 mg/ml, pH 11 after 3 days	ChEMBL.	17933530
Stabilty	= 80 %	Stability of the compound in solution at 1 mg/ml, pH 11 after 3 days	ChEMBL.	17933530

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

PubChem: 22170998

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 501137