TDR Targets

Basic information

Technical information

TDR Targets ID: 665881
Name: STK060871
MW: 448.895 | Formula: C21H18ClFN2O4S
H donors: 1 H acceptors: 2 LogP: 4.58 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(C=C2SC(=NC2=O)NC(=O)C)cc(c1OCc1ccccc1F)Cl
InChi: 1S/C21H18ClFN2O4S/c1-3-28-17-9-13(10-18-20(27)25-21(30-18)24-12(2)26)8-15(22)19(17)29-11-14-6-4-5-7-16(14)23/h4-10H,3,11H2,1-2H3,(H,24,25,26,27)/b18-10-
InChiKey: ITVRPNZKSCUDIG-ZDLGFXPLSA-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
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0199	0.7932	1
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0117	0.0117
Echinococcus granulosus	tar DNA binding protein	0.0067	0.218	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.0851	0.1427
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1386	0.1386
Schistosoma mansoni	hypothetical protein	0.0069	0.2264	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0117	0.0516
Echinococcus granulosus	dna polymerase kappa	0.002	0.0117	0.0536
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.365	0.365
Loa Loa (eye worm)	hypothetical protein	0.0101	0.365	0.365
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1386	0.6964
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0049	0.1386	0.2467
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1386	0.1386
Echinococcus granulosus	GPCR family 2	0.0032	0.0655	0.3005
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.1386	0.5
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0117	0.0536
Trypanosoma cruzi	hypothetical protein, conserved	0.0061	0.1939	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.218	0.9629
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0199	0.7932	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0061	0.1939	0.2332
Echinococcus granulosus	dna polymerase eta	0.002	0.0117	0.0536
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0655	0.3005
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0117	0.0536
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0036	0.0851	0.5
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0061	0.1939	0.2332
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0036	0.0851	0.0939
Onchocerca volvulus		0.0199	0.7932	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0049	0.1386	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1386	0.1386
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.2264	0.2264
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0655	0.3005
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0199	0.7932	0.7932
Loa Loa (eye worm)	MH2 domain-containing protein	0.0247	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0049	0.1386	0.1624
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.218	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0199	0.7932	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0199	0.7932	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1386	0.1386
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0764	0.1259
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Loa Loa (eye worm)	transcription factor SMAD2	0.0247	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0049	0.1386	0.1624
Schistosoma mansoni	hypothetical protein	0.0032	0.0655	0.2894
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1386	0.6964
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0199	0.7932	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1386	0.1624
Loa Loa (eye worm)	hypothetical protein	0.002	0.0117	0.0117
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0655	0.3005
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0199	0.7932	0.7932
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0655	0.3005
Brugia malayi	TAR-binding protein	0.0067	0.218	0.218
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.218	0.9629
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0655	0.3005
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.1386	0.1624
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0117	0.0536
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1386	0.1386
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0199	0.7932	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0764	0.1259
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.218	0.218
Mycobacterium ulcerans	hypothetical protein	0.0049	0.1386	0.1624
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.1386	0.6964
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0655	0.0655
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0049	0.1386	0.1624
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0655	0.0655
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.1386	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0655	0.0655
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0199	0.7932	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0655	0.2894
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.365	0.365
Echinococcus multilocularis	dna polymerase eta	0.002	0.0117	0.0536
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1386	0.1624
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.218	0.9629
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.218	0.218
Trypanosoma cruzi	hypothetical protein, conserved	0.0061	0.1939	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.365	0.365
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.1386	0.2467
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0117	0.0516
Schistosoma mansoni	hypothetical protein	0.0032	0.0655	0.2894
Leishmania major	hypothetical protein, conserved	0.0061	0.1939	1
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0117	0.0117
Plasmodium falciparum	acyl-CoA synthetase	0.0036	0.0851	0.5
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0117	0.0117
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0199	0.7932	1
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0138	0.5261	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0764	0.1259
Schistosoma mansoni	hypothetical protein	0.0032	0.0655	0.2894
Schistosoma mansoni	DNA polymerase eta	0.002	0.0117	0.0516
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0764	0.1259
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.218	0.9629
Loa Loa (eye worm)	hypothetical protein	0.0069	0.2264	0.2264
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.1386	0.1624
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0199	0.7932	1
Loa Loa (eye worm)	RNA binding protein	0.0067	0.218	0.218
Entamoeba histolytica	acyl-coA synthetase, putative	0.0049	0.1386	0.1624
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.1386	0.1386
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0199	0.7932	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0655	0.0655
Brugia malayi	RNA binding protein	0.0067	0.218	0.218
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.218	0.218
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.1386	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0061	0.1939	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0036	0.0851	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.218	0.9629

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 665881