TDR Targets

Basic information

Technical information

TDR Targets ID: 757606
Name: T5227327
MW: 416.736 | Formula: C17H12ClF3N2O5
H donors: 2 H acceptors: 2 LogP: 4.01 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)NC(=O)NC1(Oc2c(O1)ccc(c2)Cl)C(F)(F)F
InChi: 1S/C17H12ClF3N2O5/c1-26-14(24)9-2-5-11(6-3-9)22-15(25)23-17(16(19,20)21)27-12-7-4-10(18)8-13(12)28-17/h2-8H,1H3,(H2,22,23,25)
InChiKey: YIAJIATYOVELTL-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
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0152	0.0912
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0043	0.0238	0.0432
Trichomonas vaginalis	esterase, putative	0.0041	0.0152	0.0912
Echinococcus granulosus	chromobox protein 1	0.0075	0.1666	0.4135
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0238	0.0432
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0128	0.4028	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.0596	0.1083
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0152	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.0596	0.1003
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0238	0.0432
Echinococcus multilocularis	ecdysone induced protein 78C	0.0043	0.0238	0.04
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0043	0.0238	0.0432
Echinococcus multilocularis	FTZ F1 alpha	0.0043	0.0238	0.04
Schistosoma mansoni	hypothetical protein	0.0051	0.0596	0.1003
Loa Loa (eye worm)	steroid hormone receptor	0.0043	0.0238	0.0432
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0043	0.0238	0.04
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0043	0.0238	0.0432
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0128	0.4028	0.678
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.0596	0.1003
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0161	0.5504	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0043	0.0238	0.0432
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0152	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0238	0.0432
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0067	0.131	0.2204
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.131	0.2204
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0043	0.0238	0.0432
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0043	0.0238	0.0432
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0043	0.0238	0.04
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0152	0.0276
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.034	0.2039
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.0596	0.1083
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0043	0.0238	0.0591
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0043	0.0238	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0238	0.0432
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0043	0.0238	0.0591
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0152	0.0256
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0152	1
Toxoplasma gondii	ABC1 family protein	0.0041	0.0152	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0043	0.0238	0.0591
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0043	0.0238	0.4583
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0043	0.0238	0.0432
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0152	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0596	0.1083
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0043	0.0238	0.0432
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0152	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0152	0.0256
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.2719	0.4939
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0043	0.0238	0.04
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.2719	0.4575
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0152	0.0276
Brugia malayi	nuclear hormone receptor	0.0043	0.0238	0.0432
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0238	0.0432
Schistosoma mansoni	hypothetical protein	0.0051	0.0596	0.1003
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.2719	0.4939
Loa Loa (eye worm)	hypothetical protein	0.0161	0.5504	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.034	1
Schistosoma mansoni	thyroid hormone receptor	0.0171	0.5942	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0152	0.0912
Schistosoma mansoni	hypothetical protein	0.0051	0.0596	0.1003
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0043	0.0238	0.04
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0152	0.0276
Schistosoma mansoni	nuclear hormone receptor	0.0043	0.0238	0.04
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2719	0.4575
Schistosoma mansoni	RAR-like nuclear receptor	0.0043	0.0238	0.04
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0043	0.0238	0.04
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.0152	0.0912
Loa Loa (eye worm)	hypothetical protein	0.011	0.3232	0.5873
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0152	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0043	0.0238	0.0432
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0067	0.131	0.3251
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0043	0.0238	0.0432
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0238	0.0432
Schistosoma mansoni	hypothetical protein	0.0128	0.4028	0.678
Brugia malayi	beta-lactamase family protein	0.0041	0.0152	0.0276
Echinococcus multilocularis	chromobox protein 1	0.0075	0.1666	0.2803
Echinococcus granulosus	chromobox protein 1	0.0075	0.1666	0.4135
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0152	0.0912
Echinococcus multilocularis	GPCR, family 2	0.0051	0.0596	0.1003
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.0596	0.148
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0043	0.0238	0.04
Schistosoma mansoni	retinoic acid receptor RXR	0.0043	0.0238	0.04
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0043	0.0238	0.0591
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.0152	0.0912
Leishmania major	hypothetical protein, conserved	0.0041	0.0152	1
Brugia malayi	beta-lactamase family protein	0.0041	0.0152	0.0276
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0152	0.5
Brugia malayi	nuclear receptor NHR-88	0.0043	0.0238	0.0432
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0043	0.0238	0.0432
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0043	0.0238	0.0432
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0238	0.0432
Onchocerca volvulus	Protein ultraspiracle homolog	0.0043	0.0238	0.4583
Brugia malayi	Heterochromatin protein 1	0.0075	0.1666	0.3026
Onchocerca volvulus	Bile acid receptor homolog	0.0043	0.0238	0.4583
Schistosoma mansoni	coup transcription factor	0.0043	0.0238	0.04
Echinococcus multilocularis	lysine specific demethylase 5A	0.0067	0.131	0.2204
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0043	0.0238	0.0591
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0197	0.1185
Echinococcus granulosus	GPCR family 2	0.0051	0.0596	0.148
Echinococcus granulosus	FTZ F1 alpha	0.0043	0.0238	0.0591
Echinococcus granulosus	ecdysone induced protein 78C	0.0043	0.0238	0.0591
Brugia malayi	beta-lactamase	0.0041	0.0152	0.0276
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0043	0.0238	0.04
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0043	0.0238	0.04
Schistosoma mansoni	thyroid hormone receptor	0.0171	0.5942	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0067	0.131	0.2379
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.2719	0.6749
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0197	0.1185
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.1666	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0152	0.0276
Brugia malayi	jmjC domain containing protein	0.0067	0.131	0.2379
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0043	0.0238	0.04
Brugia malayi	Steroid receptor seven-up type 2	0.0043	0.0238	0.0432
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.2719	0.4575
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0043	0.0238	0.0432
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0043	0.0238	0.04
Brugia malayi	photoreceptor-specific nuclear receptor	0.0043	0.0238	0.0432
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0152	0.0276
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0152	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0152	0.0276
Loa Loa (eye worm)	heterochromatin protein 1	0.0075	0.1666	0.3026
Schistosoma mansoni	chromobox protein	0.0075	0.1666	0.2803
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0152	0.5
Echinococcus multilocularis	chromobox protein 1	0.0075	0.1666	0.2803
Schistosoma mansoni	chromobox protein	0.0075	0.1666	0.2803
Brugia malayi	latrophilin 2 splice variant baaae	0.011	0.3232	0.5873
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0043	0.0238	0.0432
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0152	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0238	0.0432
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2719	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0152	0.0276
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.0596	0.148
Schistosoma mansoni	hypothetical protein	0.0051	0.0596	0.1003
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0161	0.5504	1
Onchocerca volvulus		0.0043	0.0238	0.4583
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0043	0.0238	0.0432
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0152	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0067	0.131	0.3251
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.2719	0.6749
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0038	0	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0152	0.0276
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0043	0.0238	0.0432
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0043	0.0238	0.0432
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.0596	0.1083
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0043	0.0238	0.04
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0197	0.2422
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0171	0.5942	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0043	0.0238	0.0432
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0152	0.0276
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0038	0	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0043	0.0238	0.0591
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0067	0.131	0.2204
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0161	0.5504	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2719	0.4575
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0043	0.0238	0.04
Schistosoma mansoni	hypothetical protein	0.011	0.3232	0.544
Brugia malayi	jmjC domain containing protein	0.0067	0.131	0.2379
Mycobacterium ulcerans	lipase LipD	0.0041	0.0152	0.5
Schistosoma mansoni	jumonji domain containing protein	0.0067	0.131	0.2204
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0043	0.0238	0.0432
Brugia malayi	ecdysteroid receptor	0.0043	0.0238	0.0432
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0043	0.0238	0.0432
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0043	0.0238	0.04
Brugia malayi	steroid hormone receptor	0.0043	0.0238	0.0432
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.034	0.2039
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0197	0.0359
Brugia malayi	chromobox protein homolog 3	0.0042	0.0197	0.0359
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0152	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0238	0.0432
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.1666	1

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 757606