TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 439.542 | Formula: C25H26FNO3S
H donors: 0 H acceptors: 1 LogP: 4.99 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1C(=O)N(Cc1cccc(c1)OCCc1ccsc1)CC1CCCO1
InChi: 1S/C25H26FNO3S/c26-24-9-2-1-8-23(24)25(28)27(17-22-7-4-12-29-22)16-20-5-3-6-21(15-20)30-13-10-19-11-14-31-18-19/h1-3,5-6,8-9,11,14-15,18,22H,4,7,10,12-13,16-17H2
InChiKey: CDEMXRJGKGPCCW-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

No synonyms found for this compound

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	Cytochrome P450 family protein	0.0026	0.0141	0.0154
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.0141	0.0881
Echinococcus multilocularis	tumor protein p63	0.0301	0.3744	0.3744
Mycobacterium ulcerans	beta-lactamase	0.0037	0.028	0.0877
Echinococcus multilocularis	aurora kinase A	0.0117	0.1327	0.1327
Trypanosoma cruzi	polo-like protein kinase, putative	0.0053	0.0487	0.3546
Loa Loa (eye worm)	cytochrome P450 family protein	0.0056	0.0525	0.0691
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.028	0.0048
Loa Loa (eye worm)	glutaminase	0.0238	0.2922	0.3914
Schistosoma mansoni	serine/threonine protein kinase	0.0117	0.1327	0.1781
Leishmania major	cytochrome p450-like protein	0.0026	0.0141	0.0881
Entamoeba histolytica	protein kinase, putative	0.0043	0.0356	0.1023
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0053	0.0487	0.2236
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0141	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0037	0.028	0.0362
Schistosoma mansoni	ap endonuclease	0.0034	0.0246	0.033
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0411	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0121	0.138	0.184
Brugia malayi	Protein kinase domain containing protein	0.0583	0.745	1
Giardia lamblia	Aurora kinase	0.0117	0.1327	0.1501
Mycobacterium tuberculosis	Conserved protein	0.0037	0.028	0.0885
Brugia malayi	glutaminase DH11.1	0.0238	0.2922	0.3901
Toxoplasma gondii	aurora kinase	0.0117	0.1327	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0034	0.0246	0.1687
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0487	0.0336
Brugia malayi	Bromodomain containing protein	0.0031	0.0196	0.0229
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.028	0.0885
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.0043	0.0356	0.0356
Mycobacterium tuberculosis	Conserved protein	0.0037	0.028	0.0885
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0029	0.0172	0.023
Toxoplasma gondii	exonuclease III APE	0.0034	0.0246	0.1687
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0034	0.0246	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0048	0.0432	0.1413
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0043	0.0356	0.0356
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0487	0.0336
Mycobacterium ulcerans	hypothetical protein	0.0037	0.028	0.0877
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0411	0.0552
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.028	0.0885
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.0583	0.745	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0141	0.0174
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.028	0.0885
Schistosoma mansoni	cellular tumor antigen P53	0.0044	0.0373	0.05
Schistosoma mansoni	hypothetical protein	0.0018	0.0026	0.0035
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0432	0.14
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0411	0.0519
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.0583	0.745	0.745
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0117	0.1327	0.1327
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.028	0.0877
Trichomonas vaginalis	CAMK family protein kinase	0.0583	0.745	1
Brugia malayi	serine/threonine protein kinase 6	0.0117	0.1327	0.1752
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0034	0.0246	0.1687
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0.0141	0.0881
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0117	0.1327	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0034	0.0246	0.1687
Schistosoma mansoni	aldehyde dehydrogenase	0.0048	0.0432	0.0579
Trichomonas vaginalis	esterase, putative	0.0037	0.028	0.0048
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0583	0.745	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0536	0.0706
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.028	0.1954
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.028	0.032
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0034	0.0246	0.0246
Brugia malayi	beta-lactamase	0.0037	0.028	0.0342
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0487	0.0336
Mycobacterium ulcerans	lipase LipD	0.0037	0.028	0.0877
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0034	0.0246	0.033
Brugia malayi	beta-lactamase family protein	0.0037	0.028	0.0342
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.028	0.1954
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.028	0.0885
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0487	0.0336
Brugia malayi	Cytochrome P450 family protein	0.0056	0.0525	0.0672
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.028	0.0048
Echinococcus multilocularis		0.0018	0.0026	0.0026
Mycobacterium tuberculosis	Conserved protein	0.0037	0.028	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0037	0.028	0.0362
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.0116	0.1318	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0037	0.028	0.0362
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.028	0.028
Echinococcus granulosus	serine:threonine protein kinase Chk2	0.0043	0.0356	0.0478
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.028	0.0877
Trypanosoma brucei	aurora B kinase	0.0117	0.1327	1
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1327	0.1501
Brugia malayi	serine/threonine kinase 12	0.0117	0.1327	0.1752
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.028	0.0048
Schistosoma mansoni	glutaminase	0.0238	0.2922	0.3923
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0053	0.0487	0.064
Entamoeba histolytica	protein kinase , putative	0.0117	0.1327	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0432	0.14
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0048	0.0421	0.0565
Brugia malayi	hypothetical protein	0.0121	0.138	0.1823
Brugia malayi	Bromodomain containing protein	0.006	0.0581	0.0748
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0411	0.0552
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0117	0.1327	0.1781
Trypanosoma brucei	cytochrome P450, putative	0.0026	0.0141	0.0881
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0432	0.14
Brugia malayi	beta-lactamase family protein	0.0037	0.028	0.0342
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1327	0.1501
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0411	0.0411
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.1327	0.1769
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.0583	0.745	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0141	0.0174
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.028	0.0048
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0117	0.1327	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0411	0.0552
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.028	0.0048
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0117	0.1327	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.028	0.1954
Schistosoma mansoni	protein kinase	0.0117	0.1327	0.1781
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.028	0.0376
Echinococcus granulosus	fetal alzheimer antigen falz	0.0018	0.0031	0.0042
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.028	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0037	0.028	0.0362
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0048	0.0432	0.0432
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.028	0.0885
Leishmania major	hypothetical protein, conserved	0.0037	0.028	0.1954
Giardia lamblia	Kinase, PLK	0.0053	0.0487	0.0336
Schistosoma mansoni	kinase	0.0163	0.1942	0.2607
Echinococcus granulosus	cytochrome P450 2K1	0.0018	0.0026	0.0035
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1327	0.1501
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0018	0.0031	0.0031
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.0141	0.0174
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0048	0.0432	0.0579
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0048	0.0421	0.0421
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.0487	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0197	0.025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0411	0.0552
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0018	0.0031	0.0042
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0034	0.0246	0.0765
Entamoeba histolytica	protein kinase, putative	0.0117	0.1327	1
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.0356	0.0478
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.028	0.0362
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.028	0.0376
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0117	0.1327	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0034	0.0246	0.0296
Trichomonas vaginalis	CAMK family protein kinase	0.0583	0.745	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.028	0.0362
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.1327	0.1769
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0236	0.2896	1
Echinococcus granulosus	tumor protein p63	0.0301	0.3744	0.5026
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0034	0.0246	0.0758
Onchocerca volvulus		0.0121	0.138	0.1533
Schistosoma mansoni	bromodomain containing protein	0.0051	0.0458	0.0615
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0034	0.0246	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.028	0.0362
Onchocerca volvulus		0.0044	0.0373	0.0129
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0487	0.0336
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0117	0.1327	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0034	0.0246	0.0315
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0053	0.0487	0.3546
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0411	0.0411
Entamoeba histolytica	protein kinase, putative	0.0043	0.0356	0.1023
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0034	0.0246	0.1687
Giardia lamblia	Kinase, TTK	0.0583	0.745	1
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.0116	0.1318	0.1769
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0222	0.0283
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0029	0.0172	0.0172
Brugia malayi	serine/threonine-protein kinase 6	0.0117	0.1327	0.1752
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.028	0.0885
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.028	0.0342
Schistosoma mansoni	hypothetical protein	0.0016	0.0011	0.0015
Mycobacterium ulcerans	glutaminase	0.0238	0.2922	1
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.028	0.0885
Entamoeba histolytica	protein kinase, putative	0.0117	0.1327	1
Trypanosoma cruzi	aurora B kinase, putative	0.0117	0.1327	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0048	0.0432	0.3117
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0053	0.0487	0.0487
Schistosoma mansoni	cytochrome P450	0.0018	0.0026	0.0035
Leishmania major	protein kinase, putative	0.0117	0.1327	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0048	0.0432	0.3117
Echinococcus granulosus	aurora kinase A	0.0117	0.1327	0.1781
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.028	0.1954
Schistosoma mansoni	aldehyde dehydrogenase	0.0048	0.0432	0.0579
Trypanosoma cruzi	polo-like protein kinase, putative	0.0053	0.0487	0.3546
Trichomonas vaginalis	AGC family protein kinase	0.0117	0.1327	0.1501
Loa Loa (eye worm)	AUR protein kinase	0.0117	0.1327	0.1769
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0043	0.0356	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0373	0.0486
Trichomonas vaginalis	glutaminase, putative	0.0238	0.2922	0.3716
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0487	0.0336
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0411	0.0552
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0053	0.0487	0.0289
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0.0141	0.0396
Trichomonas vaginalis	CAMK family protein kinase	0.0053	0.0487	0.0336
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0053	0.0487	0.0654
Brugia malayi	serine/threonine-protein kinase plk-2	0.0053	0.0487	0.0621
Loa Loa (eye worm)	cytochrome P450	0.0018	0.0026	0.002
Mycobacterium leprae	Probable lipase LipE	0.0037	0.028	1
Trypanosoma brucei	polo-like protein kinase	0.0053	0.0487	0.3546
Loa Loa (eye worm)	TTK protein kinase	0.0583	0.745	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.028	1
Loa Loa (eye worm)	glutaminase 2	0.0238	0.2922	0.3914
Loa Loa (eye worm)	beta-lactamase	0.0037	0.028	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0242	0.031
Brugia malayi	PHD-finger family protein	0.002	0.0056	0.004
Entamoeba histolytica	protein kinase domain containing protein	0.0117	0.1327	1
Schistosoma mansoni	ap endonuclease	0.0034	0.0246	0.033

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 815288