TDR Targets

Basic information

Technical information

TDR Targets ID: 1400414
Name: 4-bromo-N-cyclopentyl-2-methylpyrazole-3-carb oxamide
MW: 272.142 | Formula: C10H14BrN3O
H donors: 1 H acceptors: 2 LogP: 1.8 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1c(Br)cnn1C)NC1CCCC1
InChi: 1S/C10H14BrN3O/c1-14-9(8(11)6-12-14)10(15)13-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,13,15)
InChiKey: VQTBXWJZDPHDMN-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

4-bromo-N-cyclopentyl-2-methyl-pyrazole-3-carboxamide
4-bromo-N-cyclopentyl-2-methyl-3-pyrazolecarboxamide
ZINC00483422

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
Leishmania major	guanylate kinase, putative	0.0029	0.0308	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0834	0.0834
Toxoplasma gondii	hypothetical protein	0.0056	0.0717	0.8594
Schistosoma mansoni	maguk P55 subfamily member 35	0.0029	0.0308	0.0644
Trichomonas vaginalis	sap-102, putative	0.0029	0.0308	0.6884
Schistosoma mansoni	serine-rich repeat protein	0.0064	0.084	0.1758
Echinococcus multilocularis	high voltage activated calcium channel beta	0.0319	0.4781	1
Trypanosoma brucei	guanylate kinase, putative	0.0029	0.0308	0.2721
Echinococcus granulosus	MAGUK p55 subfamily	0.0029	0.0308	0.0467
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0015	0.0091	0.0005
Plasmodium vivax	guanylate kinase, putative	0.0029	0.0308	0.6905
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0181	0.2654	0.5466
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0701	0.0701
Echinococcus granulosus	voltage dependent calcium channel	0.0063	0.0834	0.1589
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0308	0.0308
Brugia malayi	p70 ribosomal S6 kinase beta	0.0022	0.0207	0.0207
Trypanosoma cruzi	Protein kinase B	0.0016	0.0114	0.0306
Brugia malayi	Guanylate kinase family protein	0.0029	0.0308	0.0308
Toxoplasma gondii	guanylate kinase family protein	0.0029	0.0308	0.369
Schistosoma mansoni	P2X receptor subunit	0.0037	0.0435	0.0911
Schistosoma mansoni	membrane associated guanylate kinase inverted related	0.0029	0.0308	0.0644
Schistosoma mansoni	ap endonuclease	0.0016	0.0111	0.0232
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0022	0.0207	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0446	0.0446
Plasmodium falciparum	guanylate kinase	0.0029	0.0308	0.6905
Plasmodium vivax	aspartyl proteinase, putative	0.0038	0.0446	1
Mycobacterium ulcerans	guanylate kinase	0.0029	0.0308	1
Mycobacterium leprae	Probable guanylate kinase Gmk (GMP kinase).	0.0029	0.0308	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0016	0.0111	0.0911
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0016	0.0111	0.0265
Echinococcus multilocularis	disks large 3	0.0029	0.0308	0.0467
Brugia malayi	Guanylate kinase family protein	0.0029	0.0308	0.0308
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0015	0.0091	0.205
Brugia malayi	hypothetical protein	0.0029	0.0308	0.0308
Onchocerca volvulus		0.0029	0.031	1
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0038	0.0446	1
Echinococcus granulosus	MAGUK p55 subfamily	0.0029	0.0308	0.0467
Trichomonas vaginalis	calcium/calmodulin-dependent serine protein kinase membrane-associated guanylate kinase, putative	0.0029	0.0308	0.6884
Schistosoma mansoni	P2X receptor subunit	0.0037	0.0435	0.0911
Echinococcus multilocularis	p2X purinoceptor 4	0.0037	0.0435	0.0739
Echinococcus granulosus	peripheral plasma membrane protein CASK	0.0029	0.031	0.0472
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0063	0.0834	0.0834
Schistosoma mansoni	ap endonuclease	0.0016	0.0111	0.0232
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0016	0.0111	0.0047
Schistosoma mansoni	voltage-gated cation channel	0.0181	0.2654	0.555
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0181	0.2654	0.555
Brugia malayi	ZU5 domain containing protein	0.0029	0.0308	0.0308
Entamoeba histolytica	protein kinase, putative	0.0024	0.023	0.6395
Schistosoma mansoni	MAGUK homolog	0.0029	0.0308	0.0644
Schistosoma mansoni	cell polarity protein	0.0029	0.0308	0.0644
Echinococcus granulosus	high voltage activated calcium channel beta	0.0029	0.0308	0.0467
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0016	0.0111	0.5
Schistosoma mansoni	maguk P55 subfamily member 26	0.0029	0.0308	0.0644
Schistosoma mansoni	high voltage-activated calcium channel beta subunit 1	0.0029	0.0308	0.0644
Echinococcus granulosus	MAGUK p55 subfamily	0.0029	0.0308	0.0467
Schistosoma mansoni	hypothetical protein	0.0064	0.084	0.1758
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0038	0.0446	0.0761
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0271	0.4028	0.8394
Brugia malayi	Cache domain containing protein	0.0054	0.0701	0.0701
Plasmodium falciparum	plasmepsin IV	0.0038	0.0446	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0308	0.0308
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.023	0.5123
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0016	0.0111	0.0911
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0063	0.0834	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0016	0.0111	0.2492
Brugia malayi	exodeoxyribonuclease III family protein	0.0016	0.0111	0.0111
Toxoplasma gondii	aspartyl protease ASP1	0.0038	0.0446	0.5344
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0016	0.0111	0.0265
Trichomonas vaginalis	guanylate kinase, putative	0.0029	0.0308	0.6884
Echinococcus multilocularis	MAGUK p55 subfamily	0.0029	0.0308	0.0467
Schistosoma mansoni	cathepsin D (A01 family)	0.0038	0.0446	0.0933
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.023	0.5123
Echinococcus multilocularis	p2X purinoceptor 4	0.0037	0.0435	0.0739
Echinococcus granulosus	55 kDa erythrocyte membrane protein	0.0029	0.0308	0.0467
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0118	0.1679	0.3512
Echinococcus multilocularis		0.0029	0.0308	0.0467
Echinococcus multilocularis	MAGUK p55 subfamily	0.0029	0.0308	0.0467
Echinococcus granulosus	p2X purinoceptor 4	0.0037	0.0435	0.0739
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0059	0.0778	0.1627
Echinococcus granulosus	disks large 3	0.0029	0.0308	0.0467
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0015	0.0091	0.0005
Echinococcus multilocularis	peripheral plasma membrane protein CASK	0.0029	0.031	0.0472
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0123	0.1757	0.3554
Toxoplasma gondii	AGC kinase	0.0022	0.0207	0.2483
Schistosoma mansoni	cathepsin D (A01 family)	0.0038	0.0446	0.0933
Wolbachia endosymbiont of Brugia malayi	guanylate kinase	0.0029	0.0308	1
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0015	0.0091	0.205
Entamoeba histolytica	protein kinase, putative	0.0024	0.023	0.6395
Trichomonas vaginalis	ap endonuclease, putative	0.0016	0.0111	0.2442
Entamoeba histolytica	protein kinase, putative	0.0022	0.0207	0.5346
Echinococcus multilocularis	voltage dependent calcium channel	0.0181	0.2654	0.5466
Schistosoma mansoni	serine/threonine-protein kinase	0.0016	0.0114	0.0239
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0038	0.0446	0.0761
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0181	0.2654	0.5466
Echinococcus granulosus	high voltage activated calcium channel beta	0.0319	0.4781	1
Trypanosoma brucei	guanylate kinase, putative	0.0029	0.0308	0.2721
Trypanosoma cruzi	guanylate kinase, putative	0.0029	0.0308	0.2914
Loa Loa (eye worm)	lethal(1)discs large-1 tumor suppressor	0.0029	0.0308	0.0308
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0181	0.2654	0.5466
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0717	0.0717
Echinococcus granulosus	membrane associated guanylate kinase ww and pdz	0.0029	0.0308	0.0467
Echinococcus granulosus	guanylate kinase	0.0029	0.0308	0.0467
Echinococcus multilocularis	MAGUK p55 subfamily	0.0029	0.0308	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0181	0.2654	0.2654
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.023	0.5123
Plasmodium falciparum	plasmepsin II	0.0038	0.0446	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0016	0.0111	0.2492
Brugia malayi	Guanylate kinase family protein	0.0029	0.0308	0.0308
Brugia malayi	guanylate kinase	0.0029	0.0308	0.0308
Brugia malayi	Peripheral plasma membrane protein CASK	0.0029	0.0308	0.0308
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.0181	0.2654	0.2654
Mycobacterium tuberculosis	Probable guanylate kinase Gmk	0.0029	0.0308	1
Echinococcus granulosus	p2X purinoceptor 4	0.0037	0.0435	0.0739
Toxoplasma gondii	exonuclease III APE	0.0016	0.0111	0.1332
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0181	0.2654	0.555
Schistosoma mansoni	mannosidase endo-alpha	0.0029	0.0308	0.0644
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.023	0.5123
Echinococcus multilocularis	55 kDa erythrocyte membrane protein	0.0029	0.0308	0.0467
Brugia malayi	Protein kinase domain containing protein	0.0024	0.023	0.023
Chlamydia trachomatis	guanylate kinase	0.0029	0.0308	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.023	0.5123
Schistosoma mansoni	cell polarity protein	0.0029	0.0308	0.0644
Loa Loa (eye worm)	peripheral plasma membrane protein CASK	0.0029	0.0308	0.0308
Trypanosoma cruzi	guanylate kinase, putative	0.0029	0.0308	0.2914
Loa Loa (eye worm)	guanylate kinase	0.0029	0.0308	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0717	0.0717
Echinococcus multilocularis	guanylate kinase	0.0029	0.0308	0.0467
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0016	0.0111	0.0111
Echinococcus granulosus	serine/threonine protein kinase	0.0016	0.0114	0.0054
Echinococcus multilocularis	high voltage activated calcium channel beta	0.0029	0.0308	0.0467
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.023	0.5123
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0308	0.0308
Schistosoma mansoni	serine/threonine-protein kinase	0.0016	0.0114	0.0239
Giardia lamblia	Guanylate kinase	0.0029	0.0308	1
Plasmodium falciparum	plasmepsin VI	0.0038	0.0446	1
Toxoplasma gondii	transporter, cation channel family protein	0.0063	0.0834	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0016	0.0114	0.1049
Schistosoma mansoni	MAGUK homolog	0.0029	0.031	0.0649
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0024	0.023	0.1642
Echinococcus multilocularis	voltage dependent calcium channel	0.0181	0.2654	0.5466
Plasmodium vivax	plasmepsin IV, putative	0.0038	0.0446	1
Leishmania major	guanylate kinase-like protein	0.0029	0.0308	1
Schistosoma mansoni	P2X receptor subunit	0.0037	0.0435	0.0911
Trichomonas vaginalis	discs large, putative	0.0029	0.0308	0.6884
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0181	0.2654	0.5466
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0181	0.2654	0.5466
Echinococcus multilocularis	disks large 1	0.0029	0.0308	0.0467
Schistosoma mansoni	high voltage-activated calcium channel beta subunit 2	0.0319	0.4781	1
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.023	0.5123
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0181	0.2654	0.5466
Loa Loa (eye worm)	calcium channel	0.0181	0.2654	0.2654
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0016	0.0114	0.0306
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0181	0.2654	0.5466
Schistosoma mansoni	P2X receptor subunit	0.0037	0.0435	0.0911
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0123	0.1757	0.3554
Echinococcus multilocularis	guanylate kinase	0.0029	0.0308	0.0467
Loa Loa (eye worm)	guanylate kinase	0.0029	0.0308	0.0308
Echinococcus granulosus	disks large 1	0.0029	0.0308	0.0467
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0038	0.0446	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0308	0.0308
Echinococcus granulosus	serine threonine protein kinase nrc	0.0015	0.0091	0.0005
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0038	0.0446	0.5344
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0016	0.0114	0.1049
Entamoeba histolytica	guanylate kinase, putative	0.0029	0.0308	1
Echinococcus granulosus	p2X purinoceptor 4	0.0037	0.0435	0.0739
Plasmodium falciparum	plasmepsin I	0.0038	0.0446	1
Schistosoma mansoni	maguk P55 subfamily member 26	0.0029	0.0308	0.0644
Echinococcus multilocularis	rac serine:threonine kinase	0.0016	0.0114	0.0054
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0016	0.0111	0.0047
Echinococcus granulosus	voltage dependent calcium channel	0.0181	0.2654	0.5466
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0271	0.4028	0.8394
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0038	0.0446	0.0446
Trichomonas vaginalis	ap endonuclease, putative	0.0016	0.0111	0.2442
Schistosoma mansoni	guanylate kinase	0.0029	0.0308	0.0644
Brugia malayi	abnormal cell lineage protein 2	0.0029	0.0308	0.0308
Echinococcus granulosus	guanylate kinase	0.0029	0.0308	0.0467
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0063	0.0834	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0037	0.0435	0.0739
Schistosoma mansoni	ATP-dependent RNA Helicase	0.0029	0.0308	0.0644
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0024	0.023	0.023

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10.4179 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)	= 79.4328 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)	89.1251 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

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: CHEMBL1517914

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 1400414