TDR Targets

Basic information

Technical information

TDR Targets ID: 684675
Name: N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]eth yl]butanamide
MW: 292.372 | Formula: C15H17FN2OS
H donors: 1 H acceptors: 2 LogP: 3.15 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCC(=O)NCCc1csc(n1)c1cccc(c1)F
InChi: 1S/C15H17FN2OS/c1-2-4-14(19)17-8-7-13-10-20-15(18-13)11-5-3-6-12(16)9-11/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,17,19)
InChiKey: NBSMFWZPQKRKKF-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-[2-[2-(3-fluorophenyl)thiazol-4-yl]ethyl]butanamide
N-[2-[2-(3-fluorophenyl)-4-thiazolyl]ethyl]butanamide
N-[2-[2-(3-fluorophenyl)thiazol-4-yl]ethyl]butyramide
ZINC05137439

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
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.006	0.0239	0.0722
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0101	0.0304
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0332	0.2085	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0066	0.028	0.0845
Echinococcus granulosus	neuropeptide s receptor	0.0513	0.3314	1
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0164	0.0947	0.2857
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0112	0.0593	0.2665
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0101	0.0304
Echinococcus multilocularis	histone acetyltransferase MYST2	0.006	0.0239	0.0722
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0036	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0137	0.0091
Trichomonas vaginalis	phosphofructokinase, putative	0.0121	0.0649	0.2939
Echinococcus multilocularis	neuropeptide receptor A26	0.0513	0.3314	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0112	0.0593	0.2846
Trichomonas vaginalis	phosphofructokinase, putative	0.0121	0.0649	0.2939
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0164	0.0947	0.4403
Toxoplasma gondii	phosphofructokinase PFKII	0.0033	0.0051	0.0036
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0066	0.028	0.0845
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0332	0.2085	1
Loa Loa (eye worm)	hypothetical protein	0.0332	0.2085	1
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0332	0.2085	1
Schistosoma mansoni	hypothetical protein	0.0322	0.2015	0.9662
Brugia malayi	mbt repeat family protein	0.0053	0.019	0.083
Echinococcus multilocularis	polycomb protein SCMH1	0.0053	0.019	0.0572
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.1497	1	1
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0332	0.2085	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0121	0.0649	0.2695
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.0172	0.0827
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0175	0.0838
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0332	0.2085	0.6292
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.022	0.1322	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.006	0.0239	0.1147
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0332	0.2085	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.006	0.0239	0.0722
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0175	0.0527
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0175	0.0838
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0164	0.0947	0.421
Brugia malayi	Pre-SET motif family protein	0.0219	0.1321	0.6303
Loa Loa (eye worm)	glutaminase 2	0.0288	0.1788	0.8489
Schistosoma mansoni	bromodomain containing protein	0.007	0.0307	0.1472
Loa Loa (eye worm)	hypothetical protein	0.0053	0.019	0.0358
Loa Loa (eye worm)	glutaminase	0.0288	0.1788	0.8489
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0164	0.0947	0.2857
Loa Loa (eye worm)	hypothetical protein	0.006	0.0239	0.0611
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.1497	1	1
Trichomonas vaginalis	set domain proteins, putative	0.025	0.1527	0.7255
Echinococcus granulosus	6 phosphofructokinase	0.0121	0.0649	0.1959
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0131	0.0723	0.3303
Brugia malayi	mbt repeat family protein	0.0053	0.019	0.083
Echinococcus multilocularis	neuropeptide s receptor	0.0513	0.3314	1
Schistosoma mansoni	6-phosphofructokinase	0.0121	0.0649	0.3113
Brugia malayi	Pre-SET motif family protein	0.0031	0.0044	0.0126
Loa Loa (eye worm)	MBCTL1	0.006	0.0239	0.0611
Loa Loa (eye worm)	6-phosphofructokinase	0.0121	0.0649	0.2695
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0044	0.0211
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.019	0.0909
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0175	0.0283
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0121	0.0649	0.2939
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0053	0.019	0.0981
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0332	0.2085	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0363	0.124
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0175	0.0527
Echinococcus multilocularis	geminin	0.0179	0.1044	0.315
Entamoeba histolytica	phosphofructokinase, putative	0.0121	0.0649	0.2939
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0332	0.2085	1
Trichomonas vaginalis	glutaminase, putative	0.0288	0.1788	0.854
Echinococcus granulosus	histone lysine methyltransferase setb	0.005	0.0172	0.052
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.1497	1	0.5
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0164	0.0947	0.4541
Schistosoma mansoni	hypothetical protein	0.0179	0.1044	0.5006
Trichomonas vaginalis	phosphofructokinase, putative	0.0121	0.0649	0.2939
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0208	0.1246	0.3761
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0033	0.0051	0.0036
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0112	0.0593	0.2691
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.005	0.0172	0.052
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0332	0.2085	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0219	0.1321	0.6112
Mycobacterium ulcerans	glutaminase	0.0288	0.1788	0.1218
Echinococcus granulosus	SAM and MBT domain containing protein	0.0053	0.019	0.0572
Entamoeba histolytica	phosphofructokinase, putative	0.0121	0.0649	0.2939
Brugia malayi	Bromodomain containing protein	0.0042	0.0119	0.0488
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0044	0.0133
Brugia malayi	6-phosphofructokinase	0.0121	0.0649	0.3053
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.0172	0.0827
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0112	0.0593	0.2665
Toxoplasma gondii	6-phosphofructokinase	0.0033	0.0051	0.0036
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0332	0.2085	1
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0164	0.0947	0.4494
Plasmodium vivax	6-phosphofructokinase, putative	0.0033	0.0051	0.0036
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0175	0.0759
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0332	0.2085	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0151	0.0164
Loa Loa (eye worm)	phosphofructokinase	0.0121	0.0649	0.2695
Schistosoma mansoni	sex comb on midleg homolog	0.0053	0.019	0.0909
Onchocerca volvulus		0.025	0.1527	1
Brugia malayi	phosphofructokinase	0.0121	0.0649	0.3053
Trichomonas vaginalis	phosphofructokinase, putative	0.0121	0.0649	0.2939
Loa Loa (eye worm)	mbt repeat family protein	0.0053	0.019	0.0358
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0044	0.0211
Brugia malayi	glutaminase DH11.1	0.0288	0.1788	0.8563
Schistosoma mansoni	6-phosphofructokinase	0.0121	0.0649	0.3113
Echinococcus granulosus	geminin	0.0179	0.1044	0.315
Schistosoma mansoni	hypothetical protein	0.0179	0.1044	0.5006
Brugia malayi	Bromodomain containing protein	0.0083	0.0395	0.1825
Echinococcus multilocularis	6 phosphofructokinase	0.0121	0.0649	0.1959
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0175	0.0527
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0332	0.2085	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0172	0.0271
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0332	0.2085	0.6292
Onchocerca volvulus		0.0053	0.019	0.0981
Schistosoma mansoni	glutaminase	0.0288	0.1788	0.8576
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.006	0.0239	0.1071
Echinococcus granulosus	neuropeptide receptor A26	0.0513	0.3314	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0053	0.019	0.0909
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0332	0.2085	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0175	0.0527
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0175	0.0838
Echinococcus granulosus	polycomb protein SCMH1	0.0053	0.019	0.0572
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0164	0.0947	0.4424
Plasmodium vivax	6-phosphofructokinase, putative	0.0033	0.0051	0.0036
Entamoeba histolytica	phosphofructokinase, putative	0.0121	0.0649	0.2939
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0164	0.0947	0.4424
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.006	0.0239	0.0722
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0053	0.019	0.0572
Brugia malayi	6-phosphofructokinase	0.0121	0.0649	0.3053
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0208	0.1246	0.3761

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 684675