TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 690.491 | Formula: C24H26Br2N4O4S3
H donors: 2 H acceptors: 2 LogP: 8.34 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CCCOc1c(sc(c1OCCC)C(=O)N/N=C(\c1ccc(s1)Br)/C)C(=O)N/N=C(\c1ccc(s1)Br)/C
InChi: 1S/C24H26Br2N4O4S3/c1-5-11-33-19-20(34-12-6-2)22(24(32)30-28-14(4)16-8-10-18(26)36-16)37-21(19)23(31)29-27-13(3)15-7-9-17(25)35-15/h7-10H,5-6,11-12H2,1-4H3,(H,29,31)(H,30,32)/b27-13-,28-14-
InChiKey: VGQSHSYNDZLGMH-JEGUCOMDSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.005
Brugia malayi	CXXC zinc finger family protein	0.003	0.0579	0.1815
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0492	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0029	0.5
Echinococcus granulosus	smad	0.0009	0.0068	0.0068
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0148	0.0463
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0148	0.0463
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0148	0.0148
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0693	0.0693
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0693	0.0693
Loa Loa (eye worm)	Smad1	0.0009	0.0068	0.0212
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0148	0.0148
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0148	0.0463
Brugia malayi	hypothetical protein	0.0017	0.0271	0.0849
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0463
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0029	0.5
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0045	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0148	0.0463
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0088	0.0088
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0068	0.0068
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0148	0.0463
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0148	0.0463
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0148	0.0463
Brugia malayi	Smad1	0.0009	0.0068	0.0212
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0016	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Onchocerca volvulus		0.003	0.0579	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0148	0.0463
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0142	0.3192	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0148	0.0148
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0068	0.0212
Schistosoma mansoni	Smad4	0.0009	0.0068	0.0068
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.1377	0.1377
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.3192	0.3192
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0149	0.3356	0.3356
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0693	0.2169
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0463
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0148	0.0463
Schistosoma mansoni	hypothetical protein	0.0035	0.0693	0.0693
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0148	0.0463
Brugia malayi	steroid hormone receptor	0.0012	0.0148	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0463
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0693	0.2169
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0148	0.0148
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0029	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0148	0.0148
Echinococcus multilocularis	tar DNA binding protein	0.0142	0.3192	0.3192
Schistosoma mansoni	hypothetical protein	0.0035	0.0693	0.0693
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0492	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0148	0.0148
Brugia malayi	RNA binding protein	0.0142	0.3192	1
Echinococcus multilocularis	Smad4	0.0009	0.0068	0.0068
Brugia malayi	MH1 domain containing protein	0.0009	0.0068	0.0212
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.2801	0.8776
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0463
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0148	0.2554
Schistosoma mansoni	cpg binding protein	0.0032	0.062	0.062
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0148	0.0148
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0088	0.0088
Schistosoma mansoni	cpg binding protein	0.003	0.0579	0.0579
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0112	0.2474	0.775
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0112	0.2474	0.775
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0045	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0148	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0463
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.3192	0.3192
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0148	0.0463
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0142	0.3192	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0068	0.0068
Echinococcus multilocularis	cpg binding protein	0.0032	0.062	0.062
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0148	0.0148
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0068	0.0068
Brugia malayi	hypothetical protein	0.0006	0.0016	0.005
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0088	0.0276
Schistosoma mansoni	cpg binding protein	0.0032	0.062	0.062
Brugia malayi	ecdysteroid receptor	0.0012	0.0148	0.0463
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0068	0.0068
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0492	0.1542
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.3636	0.3636
Brugia malayi	MH2 domain containing protein	0.0126	0.2801	0.8776
Brugia malayi	RNA recognition motif domain containing protein	0.0142	0.3192	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0492	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.3192	0.3192
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0693	0.0693
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0148
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0148	0.0148
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0161	0.3636	0.3636
Echinococcus multilocularis	smad	0.0009	0.0068	0.0068
Onchocerca volvulus		0.0012	0.0148	0.2554
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0148	0.0463
Echinococcus granulosus	cpg binding protein	0.0032	0.062	0.062
Brugia malayi	nuclear receptor RXR	0.0006	0.0016	0.005
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0148	0.0463
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.005
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.2801	0.8776
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0148	0.0463
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.1216	1
Brugia malayi	MH2 domain containing protein	0.0009	0.0068	0.0212
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0148	0.0463
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Schistosoma mansoni	hypothetical protein	0.0035	0.0693	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0463
Leishmania major	hypothetical protein, conserved	0.0027	0.0492	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0148
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0068	0.0068
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0148	0.0148
Schistosoma mansoni	hypothetical protein	0.0012	0.0148	0.0148
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0016	0.0016
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0148
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0029	0.5
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0068	0.0068
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0148	0.0463
Schistosoma mansoni	hypothetical protein	0.0035	0.0693	0.0693
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0148	0.0463
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0148	0.0463
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0029	0.5
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0016	0.005
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.1649	0.5167
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0148	0.0148
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0148	0.0148
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0148	0.0463
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0029	0.5
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0085	0.0267
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0148	0.0148
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.3636	0.3636
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0148	0.0148
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0148	0.2554
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0148	0.0463
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0492	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0045	0.0045
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0029	0.5
Echinococcus granulosus	tar DNA binding protein	0.0142	0.3192	0.3192
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0029	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0029	0.5
Brugia malayi	hypothetical protein	0.0006	0.0016	0.005
Echinococcus granulosus	GPCR family 2	0.0035	0.0693	0.0693
Schistosoma mansoni	hypothetical protein	0.0076	0.1649	0.1649
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0148	0.0148
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0068	0.0068
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0148	0.0148
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0148	0.0148
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0148	0.0148
Brugia malayi	hypothetical protein	0.0027	0.0492	0.1542
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0492	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0148	0.0463
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0148	0.0463
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0148	0.0148
Schistosoma mansoni	hypothetical protein	0.0149	0.3356	0.3356
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0693	0.2169
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.3192	0.3192
Schistosoma mansoni	coup transcription factor	0.0012	0.0148	0.0148
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0693	0.0693
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0693	0.2169
Loa Loa (eye worm)	RNA binding protein	0.0142	0.3192	1
Brugia malayi	MH2 domain containing protein	0.0009	0.0068	0.0212
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0016	0.0016
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0148	0.2554
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0693	0.0693
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0045	0.0045
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0068	0.0068
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.005
Trichomonas vaginalis	helicase, putative	0.0007	0.0029	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0148	0.0148
Brugia malayi	nuclear hormone receptor	0.0012	0.0148	0.0463
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0148	0.0148
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0149	0.3356	0.3356
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0148	0.0463
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.005
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0068	0.0212
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0579	0.1815
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0492	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0142	0.3192	0.3192
Schistosoma mansoni	smad	0.0009	0.0068	0.0068
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0016	0.005
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0148	0.0463
Echinococcus granulosus	Smad4	0.0009	0.0068	0.0068
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0148	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.005
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1649	0.5167
Brugia malayi	TAR-binding protein	0.0142	0.3192	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2474	0.775
Brugia malayi	MH1 domain containing protein	0.0009	0.0068	0.0212
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0112	0.2474	0.775
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0016	0.0016

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

ChEMBL: CHEMBL576225

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1076616