TDR Targets

Basic information

Technical information

TDR Targets ID: 780933
Name: A1909/0080214
MW: 472.33 | Formula: C26H18BrNO3
H donors: 0 H acceptors: 3 LogP: 4.19 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=CC12C3C(=O)N(C(=O)C3C(c3c1cccc3)(c1c2cccc1)C)c1ccccc1Br
InChi: 1S/C26H18BrNO3/c1-25-15-8-2-4-10-17(15)26(14-29,18-11-5-3-9-16(18)25)22-21(25)23(30)28(24(22)31)20-13-7-6-12-19(20)27/h2-14,21-22H,1H3
InChiKey: IIDIQRVWHGMZOE-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

ChemDiv1_026019
AG-205/12140176

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
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0118	0.003
Echinococcus granulosus	intermediate filament protein	0.0027	0.0432	0.0346
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0432	0.0432
Schistosoma mansoni	coup transcription factor	0.002	0.0118	0.003
Echinococcus multilocularis	carbonic anhydrase	0.0138	0.5631	0.5592
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5631	0.5631
Echinococcus granulosus	carbonic anhydrase	0.0138	0.5631	0.5592
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0851	0.0742
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0226	0.0139
Trypanosoma brucei	carbonic anhydrase-like protein	0.0231	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0138	0.5631	0.5579
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0145	0.5963	0.5927
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0118	0.0118
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0138	0.0138
Onchocerca volvulus		0.0036	0.0851	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0231	1	1
Echinococcus multilocularis	lamin	0.0027	0.0432	0.0346
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0851	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0851	0.5
Brugia malayi	Bromodomain containing protein	0.0074	0.2662	0.2574
Schistosoma mansoni	carbonic anhydrase	0.0138	0.5631	0.5592
Trichomonas vaginalis	esterase, putative	0.0036	0.0851	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0226	0.0139
Echinococcus granulosus	lamin	0.0027	0.0432	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Echinococcus multilocularis	carbonic anhydrase II	0.0231	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.986	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.2463	0.2463
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0138	0.5631	0.5579
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.0118
Echinococcus granulosus	carbonic anhydrase	0.0138	0.5631	0.5592
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0138	0.5631	0.5579
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0231	1	1
Schistosoma mansoni	hypothetical protein	0.002	0.0138	0.005
Brugia malayi	beta-lactamase family protein	0.0036	0.0851	0.0742
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0851	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.0118
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0851	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0851	0.5
Plasmodium falciparum	carbonic anhydrase	0.0138	0.5631	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0118	0.0118
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0118	0.003
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0118	0.003
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.0118
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0118	0.003
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0118	0.003
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0118	0.003
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0118	0.003
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Onchocerca volvulus		0.0036	0.0851	1
Onchocerca volvulus		0.0036	0.0851	1
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0432	0.0346
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0851	0.077
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0432	0.0432
Schistosoma mansoni	hypothetical protein	0.0138	0.5631	0.5592
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0118	0.003
Echinococcus multilocularis	carbonic anhydrase	0.0138	0.5631	0.5592
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0961	0.0961
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0118	0.003
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0118	0.003
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.0118
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0118	0.003
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0118	0.003
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0231	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0118	0.0118
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0118	0.003
Schistosoma mansoni	carbonic anhydrase-related	0.0138	0.5631	0.5592
Toxoplasma gondii	hypothetical protein	0.0138	0.5631	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0118	0.003
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0118	0.003
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0125	0.5025	0.498
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0138	0.5631	0.5579
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0118	0.003
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5631	0.5631
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0118	0.003
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Loa Loa (eye worm)	hypothetical protein	0.004	0.1071	0.1071
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.0118
Schistosoma mansoni	thyroid hormone receptor	0.0145	0.5963	0.5927
Onchocerca volvulus		0.0027	0.0432	0.4277
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0118	0.003
Echinococcus granulosus	carbonic anhydrase	0.0138	0.5631	0.5592
Schistosoma mansoni	lamin	0.0027	0.0432	0.0346
Brugia malayi	beta-lactamase family protein	0.0036	0.0851	0.0742
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0851	0.5
Echinococcus granulosus	carbonic anhydrase II	0.0231	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5631	0.5631
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0231	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0851	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0432	0.0432
Brugia malayi	Bromodomain containing protein	0.0038	0.0958	0.085
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0118	0.003
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0851	0.5
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0138	0.5631	0.5631
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0118	0.003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0118	0.0118
Schistosoma mansoni	thyroid hormone receptor	0.0145	0.5963	0.5927
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0848	0.0766
Schistosoma mansoni	hypothetical protein	0.0125	0.5025	0.498
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0851	0.077
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0231	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0851	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0138	0.5631	0.5592
Schistosoma mansoni	carbonic anhydrase-related	0.0138	0.5631	0.5592
Mycobacterium ulcerans	lipase LipD	0.0036	0.0851	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0118	0.003
Loa Loa (eye worm)	hypothetical protein	0.0042	0.116	0.116
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0231	1	1
Echinococcus granulosus	lamin dm0	0.0027	0.0432	0.0346
Echinococcus multilocularis	carbonic anhydrase	0.0138	0.5631	0.5592
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0118	0.003
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0851	0.0851
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0118	0.003
Brugia malayi	beta-lactamase	0.0036	0.0851	0.0742
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0848	0.0766
Schistosoma mansoni	lamin	0.0027	0.0432	0.0346
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.1952	0.188
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0851	0.0851
Brugia malayi	intermediate filament protein	0.0027	0.0432	0.0317
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0851	0.5
Schistosoma mansoni	bromodomain containing protein	0.0063	0.2118	0.2047
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.1952	0.188
Loa Loa (eye worm)	carbonic anhydrase 3	0.0231	1	1
Leishmania major	carbonic anhydrase-like protein	0.0231	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0432	0.0317
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0125	0.5025	0.498
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.0118
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0851	0.077
Onchocerca volvulus		0.0027	0.0432	0.4277
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0138	0.5631	0.5579
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0118	0.003
Brugia malayi	PHD-finger family protein	0.0025	0.0336	0.0221
Echinococcus multilocularis	musashi	0.0027	0.0432	0.0346
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0851	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0851	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0118	0.0118
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0226	0.0139
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0118	0.003
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0118	0.003
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0409	0.0409
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0851	0.077
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0118	0.003
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0851	0.0851
Echinococcus multilocularis	lamin dm0	0.0027	0.0432	0.0346

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 780933