TDR Targets

Basic information

Technical information

TDR Targets ID: 792102
Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-prop ylpentanamide
MW: 381.33 | Formula: C17H21BrN2OS
H donors: 0 H acceptors: 2 LogP: 5.26 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(c1scc(n1)c1ccc(cc1)Br)C(=O)CCCC
InChi: 1S/C17H21BrN2OS/c1-3-5-6-16(21)20(11-4-2)17-19-15(12-22-17)13-7-9-14(18)10-8-13/h7-10,12H,3-6,11H2,1-2H3
InChiKey: QLGZLQHSZSBVCE-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-(4-bromophenyl)thiazol-2-yl]-N-propyl-pentanamide
N-[4-(4-bromophenyl)-2-thiazolyl]-N-propylpentanamide
N-[4-(4-bromophenyl)thiazol-2-yl]-N-propyl-valeramide
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-propyl-pentanamide

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
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.2539	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0877	0.3702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1707	0.7204
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0017	0.0312	0.5
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0312	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.154	0.6498
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0312	0.0408
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0312	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.1047	0.4418
Mycobacterium tuberculosis	Probable reductase	0.0115	0.6905	0.8837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.154	0.6498
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0312	0.1316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.1066	0.4499
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0128	0.7773	1
Trypanosoma brucei	trypanothione reductase	0.005	0.2539	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0312	0.0408
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0312	0.0408
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0048	0.237	0.9272
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0312	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.154	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.154	0.6498
Treponema pallidum	NADH oxidase	0.0017	0.0312	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.1066	0.4499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.237	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.237	1
Plasmodium falciparum	glutathione reductase	0.005	0.2539	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0048	0.237	0.9272
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0048	0.237	0.9272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.088	0.3713
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.6905	0.8837
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0048	0.237	0.9272
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0312	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1707	0.7204
Toxoplasma gondii	thioredoxin reductase	0.005	0.2539	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1707	0.7204
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0017	0.0312	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.088	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1707	0.7204
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.2539	1
Brugia malayi	glutathione reductase	0.005	0.2539	1
Loa Loa (eye worm)	glutathione reductase	0.005	0.2539	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0128	0.7773	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.2539	0.2985
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.1066	0.4499
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0038	0.171	0.6429
Trypanosoma cruzi	trypanothione reductase, putative	0.0017	0.0312	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.088	0.3713
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0048	0.237	0.9272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0877	0.3702
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.6905	0.8837
Plasmodium vivax	glutathione reductase, putative	0.005	0.2539	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0036	0.154	0.5514
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0312	0.0408
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0312	0.1316
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.2539	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0312	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.154	0.6498
Plasmodium falciparum	thioredoxin reductase	0.005	0.2539	1
Giardia lamblia	GTOR	0.0048	0.237	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0017	0.0312	0.0408
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0312	0.0408
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.2539	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0023	0.0663	0.1919
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0217	0.0916
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0312	0.0408
Leishmania major	trypanothione reductase	0.005	0.2539	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0312	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.6905	0.8837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.154	0.6498
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0048	0.237	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0217	0.0916
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0312	0.0408
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0312	0.0408
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0312	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0048	0.237	0.9272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.1047	0.4418
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0312	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0877	0.3702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.1234	0.5205
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.1896	0.8002
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0312	0.0408
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.6905	0.8837
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0048	0.237	0.9272
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0312	0.0408
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0312	0.0408
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0312	0.0097
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0048	0.237	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0038	0.171	0.6429
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0312	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0217	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0217	0.0916
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0312	0.5
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.2539	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0128	0.7773	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0048	0.237	0.2201
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.002	0.0476	0.1116
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0048	0.237	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.1304	0.5501
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0048	0.237	0.9272
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.6905	0.8837
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0048	0.237	0.9272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.088	0.3713
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0048	0.237	0.9272
Mycobacterium tuberculosis	Probable oxidoreductase	0.0128	0.7773	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0217	0.0916
Trypanosoma cruzi	target of rapamycin kinase 3	0.0038	0.171	0.6429
Brugia malayi	Thioredoxin reductase	0.005	0.2539	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0312	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.154	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1707	0.7204

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 792102