TDR Targets

Basic information

Technical information

TDR Targets ID: 1534808
Name: N-(4-bromo-2-fluorophenyl)-3-pyrazol-1-ylprop anamide
MW: 312.138 | Formula: C12H11BrFN3O
H donors: 1 H acceptors: 2 LogP: 1.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1F)Br)CCn1cccn1
InChi: 1S/C12H11BrFN3O/c13-9-2-3-11(10(14)8-9)16-12(18)4-7-17-6-1-5-15-17/h1-3,5-6,8H,4,7H2,(H,16,18)
InChiKey: VRPBKXNCKFZPGS-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-(4-bromo-2-fluoro-phenyl)-3-pyrazol-1-yl-propanamide
N-(4-bromo-2-fluorophenyl)-3-(1-pyrazolyl)propanamide
N-(4-bromo-2-fluoro-phenyl)-3-pyrazol-1-yl-propionamide
G239-0081
NCGC00129503-01

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	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0836	0.053
Schistosoma mansoni	DNA helicase recq5	0.0022	0.0836	0.171
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4787	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0793	0.1622
Schistosoma mansoni	hypothetical protein	0.0015	0.0323	0.0661
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.4787	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0793	0.9485
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0793	0.9201
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0836	0.0807
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0793	0.0485
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4787	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Onchocerca volvulus		0.0146	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Brugia malayi	hypothetical protein	0.0077	0.489	0.472
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0793	0.1622
Echinococcus granulosus	peroxidasin	0.0077	0.489	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0793	0.9465
Trypanosoma brucei	unspecified product	0.0022	0.0793	0.9201
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0836	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Entamoeba histolytica	recQ family DNA helicase	0.0011	0.0032	0.0381
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0022	0.0836	0.1123
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.2792	0.2551
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0793	0.9201
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0836	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.4787	0.9789
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0011	0.0032	0.0066
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0793	0.9201
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Schistosoma mansoni	hypothetical protein	0.0015	0.0323	0.0661
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0793	0.1028
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.489	0.472
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0032	0.0066
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.2792	0.5405
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0836	0.1747
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4787	1
Toxoplasma gondii	hypothetical protein	0.0026	0.1122	0.2344
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.489	0.4874
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4787	0.5
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0836	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0793	0.0764
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.4787	0.9774
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0793	0.1622
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.1122	0.2344
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.489	0.4874
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0793	0.1028
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0836	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.2792	0.5405
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0836	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1632	0.1353
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.489	0.4874
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.2792	0.5405
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0793	0.9465
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0793	0.9465
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0793	0.1028
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.2792	0.5709
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0793	0.9465
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.489	0.472
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.4787	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1632	0.1606
Loa Loa (eye worm)	blistered cuticle protein 3	0.0077	0.489	0.4874
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0793	0.1028
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.2861	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4787	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4787	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0836	0.1747
Giardia lamblia	Sgs1 DNA helicase, putative	0.0022	0.0836	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0793	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Brugia malayi	Blistered cuticle protein 3	0.0077	0.489	0.472
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.2792	0.2769
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.276	0.2737
Loa Loa (eye worm)	hypothetical protein	0.0048	0.276	0.2737
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0022	0.0836	0.1123
Schistosoma mansoni	hypothetical protein	0.0015	0.0323	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0076	0.4787	0.4771
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.2792	0.5405
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.489	0.472
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.2792	0.5709
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0836	0.1123
Schistosoma mansoni	peroxidasin	0.0077	0.489	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0793	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Schistosoma mansoni	hypothetical protein	0.0033	0.1632	0.3338
Loa Loa (eye worm)	animal heme peroxidase	0.0077	0.489	0.4874
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.1122	0.2293
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0793	0.9465
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0836	0.053
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.1122	0.0724
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0323	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0836	0.0807
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0032	0.00000000067858
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0793	0.9201
Entamoeba histolytica	recQ family helicase, putative	0.0022	0.0836	1
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0793	0.1028
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0836	0.1123
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.2861	0.5556
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Brugia malayi	Probable ClpP-like protease	0.0076	0.4787	0.4613
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.4787	0.9774
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Schistosoma mansoni	DNA helicase recq1	0.0022	0.0836	0.171
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.4787	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.2792	0.5709
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0836	0.053
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Brugia malayi	Peroxidasin	0.0077	0.489	0.472
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0022	0.0836	0.1123
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.489	0.472
Echinococcus multilocularis	peroxidasin	0.0077	0.489	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.4787	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.2861	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0323	0.0661
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0022	0.0836	0.1123
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.276	0.2518
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0836	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.489	0.4874
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.276	0.2518
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0022	0.0836	0.0807
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.2861	0.4744
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0323	0.0293
Schistosoma mansoni	peroxidasin	0.0077	0.489	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.0011	0.0032	0.0065
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.4787	1
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.2861	0.5556
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0793	0.9201
Brugia malayi	Animal haem peroxidase family protein	0.0077	0.489	0.472
Echinococcus granulosus	dna polymerase eta	0.0022	0.0793	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0146	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	29.0929 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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	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: CHEMBL1725278

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1534808