TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 550.424 | Formula: C26H20BrN3O4S
H donors: 1 H acceptors: 3 LogP: 4.46 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: COc1cccc(c1)CN1c2ccccc2C2=C(S1(=O)=O)C(C(=C(O2)N)C#N)c1ccccc1Br
InChi: 1S/C26H20BrN3O4S/c1-33-17-8-6-7-16(13-17)15-30-22-12-5-3-10-19(22)24-25(35(30,31)32)23(20(14-28)26(29)34-24)18-9-2-4-11-21(18)27/h2-13,23H,15,29H2,1H3
InChiKey: LEZCHCMHOORHSX-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	Corticotropin releasing factor receptor 2 precursor, putative	0.0151	0.3101	0.3101
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0056	0.0056
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0886	0.0886
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0194	0.4813
Brugia malayi	hypothetical protein	0.0025	0.0403	0.0403
Entamoeba histolytica	hypothetical protein	0.0073	0.1434	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0052	0.0052
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0052	0.0052
Echinococcus multilocularis	tar DNA binding protein	0.0133	0.2715	0.2715
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0052	0.0052
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0886	0.0886
Loa Loa (eye worm)	Smad1	0.0009	0.0052	0.0052
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0403	1
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0009	0.0056	0.0056
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0403	1
Brugia malayi	MH2 domain containing protein	0.0009	0.0052	0.0052
Echinococcus granulosus	smad	0.0009	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0403	0.0403
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0194	0.4813
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0052	0.0052
Brugia malayi	Smad1	0.0009	0.0052	0.0052
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0194	0.397
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2715	0.2715
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0194	0.0194
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0403	1
Onchocerca volvulus		0.0009	0.0056	0.0146
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0052	0.0052
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0194	0.0194
Brugia malayi	latrophilin 2 splice variant baaae	0.0103	0.2076	0.2076
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.0048	0.0886	0.0886
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0194	0.397
Brugia malayi	MH1 domain containing protein	0.0009	0.0052	0.0052
Schistosoma mansoni	dep domain containing protein	0.0009	0.0056	0.0056
Entamoeba histolytica	hypothetical protein	0.0073	0.1434	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2715	0.2715
Schistosoma mansoni	serine/threonine protein kinase	0.0471	1	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0194	0.0194
Schistosoma mansoni	hypothetical protein	0.0103	0.2076	0.2076
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.1434	0.1434
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0056	0.0056
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0006	0	0.5
Entamoeba histolytica	hypothetical protein	0.0073	0.1434	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0056	0.0056
Schistosoma mansoni	Smad4	0.0009	0.0052	0.0052
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0052	0.0052
Schistosoma mansoni	smad	0.0009	0.0052	0.0052
Brugia malayi	hypothetical protein	0.0009	0.0056	0.0056
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0009	0.0056	0.0056
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0886	0.0886
Schistosoma mansoni	dishevelled	0.0009	0.0056	0.0056
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0052	0.0052
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0056	0.0056
Loa Loa (eye worm)	DIX domain-containing protein	0.0009	0.0056	0.0056
Brugia malayi	hypothetical protein	0.0073	0.1434	0.1434
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0194	0.0194
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0056	0.0056
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	0.2674	0.2674
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0185	0.3844	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0151	0.3101	0.3101
Brugia malayi	RNA recognition motif domain containing protein	0.0133	0.2715	0.2715
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0009	0.0056	0.0056
Echinococcus granulosus	c-Jun N-terminal kinases	0.0471	1	1
Echinococcus granulosus	tar DNA binding protein	0.0133	0.2715	0.2715
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	0.2674	0.2674
Brugia malayi	MH2 domain containing protein	0.0009	0.0052	0.0052
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0886	0.0886
Leishmania major	hypothetical protein, conserved	0.0025	0.0403	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0052	0.0052
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0886	0.0886
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0056	0.0056
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0886	0.0886
Schistosoma mansoni	hypothetical protein	0.0048	0.0886	0.0886
Loa Loa (eye worm)	TAR-binding protein	0.0133	0.2715	0.2715
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0056	0.0056
Schistosoma mansoni	dishevelled	0.0009	0.0056	0.0056
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0056	0.0056
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0006	0	0.5
Brugia malayi	MH1 domain containing protein	0.0009	0.0052	0.0052
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2715	0.2715
Brugia malayi	RNA binding protein	0.0133	0.2715	0.2715
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0009	0.0056	0.0146
Brugia malayi	hypothetical protein	0.0009	0.0056	0.0056
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0194	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0056	0.0056
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0194	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0151	0.3101	0.3101
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0194	0.0194
Loa Loa (eye worm)	RNA binding protein	0.0133	0.2715	0.2715
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0403	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.3844	0.3844
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0056	0.0056
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0056	0.0056
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0471	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2715	0.2715
Schistosoma mansoni	hypothetical protein	0.0073	0.1434	0.1434
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0886	0.0886
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0052	0.0052
Brugia malayi	hypothetical protein	0.0016	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.0011	0.0104	0.0104
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0052	0.0052
Brugia malayi	TAR-binding protein	0.0133	0.2715	0.2715
Echinococcus granulosus	GPCR family 2	0.0048	0.0886	0.0886
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0006	0	0.5
Echinococcus multilocularis	smad	0.0009	0.0052	0.0052
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0194	0.0194
Entamoeba histolytica	hypothetical protein	0.0073	0.1434	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.1434	0.1434
Brugia malayi	N-terminal motif family protein	0.0185	0.3844	0.3844
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0403	1
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0056	0.0056
Brugia malayi	DIX domain containing protein	0.0009	0.0056	0.0056
Brugia malayi	regulator of G-protein signaling egl-10	0.0009	0.0056	0.0056
Schistosoma mansoni	hypothetical protein	0.0048	0.0886	0.0886
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0133	0.2715	0.2715
Schistosoma mansoni	hypothetical protein	0.0048	0.0886	0.0886
Echinococcus multilocularis	Smad4	0.0009	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0886	0.0886
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0194	0.0194
Brugia malayi	MH2 domain containing protein	0.0131	0.2674	0.2674
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.1434	0.1434
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0471	1	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0056	0.0056
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0103	0.2076	0.2076
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.2715	0.2715
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0151	0.3101	0.3101
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0403	1
Echinococcus granulosus	Smad4	0.0009	0.0052	0.0052
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0886	0.0886
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0403	1
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0006	0	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0194	0.0194
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0194	0.0194
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0056	0.0056

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 905686