TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 575.136 | Formula: C19H15I2NO4
H donors: 3 H acceptors: 3 LogP: 2.31 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cccc2c1cc(O)cc2)N
InChi: 1S/C19H15I2NO4/c20-14-6-10(8-16(22)19(24)25)7-15(21)18(14)26-17-3-1-2-11-4-5-12(23)9-13(11)17/h1-7,9,16,23H,8,22H2,(H,24,25)
InChiKey: JZMWRHOXTVAEEF-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	Nuclear hormone receptor family member nhr-49	0.0839	0.0847	0.081
Onchocerca volvulus	Bile acid receptor homolog	0.0839	0.0847	0.0559
Brugia malayi	nuclear receptor NHR-88	0.0839	0.0847	0.081
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0163	0.0021	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0163	0.0021	1
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0839	0.0847	0.1098
Brugia malayi	hypothetical protein	0.0396	0.0306	0.0232
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0839	0.0847	0.0989
Brugia malayi	Nuclear hormone receptor E75	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0443	0.0364	0.0294
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0839	0.0847	0.081
Echinococcus multilocularis	FTZ F1 alpha	0.0839	0.0847	0.1098
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0839	0.0847	0.0989
Brugia malayi	orphan nuclear receptor NR2E1	0.0396	0.0306	0.0232
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.7888	0.9458	1
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0163	0.0021	1
Loa Loa (eye worm)	hypothetical protein	0.0839	0.0847	0.081
Brugia malayi	nuclear receptor NHR-67	0.0396	0.0306	0.0232
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0839	0.0847	0.1333
Onchocerca volvulus		0.0839	0.0847	0.0559
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0021	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0839	0.0847	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0839	0.0847	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0443	0.0364	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0839	0.0847	0.081
Onchocerca volvulus	Protein ultraspiracle homolog	0.0839	0.0847	0.0559
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.4434	0.5239	1
Brugia malayi	hypothetical protein	0.0443	0.0364	0.0294
Brugia malayi	Steroid receptor seven-up type 2	0.0839	0.0847	0.081
Loa Loa (eye worm)	hypothetical protein	0.0839	0.0847	0.081
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0839	0.0847	0.0989
Echinococcus granulosus	FTZ F1 alpha	0.0839	0.0847	0.0989
Schistosoma mansoni	nuclear hormone receptor	0.0839	0.0847	0.1333
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0396	0.0306	0.0381
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0839	0.0847	0.0989
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0839	0.0847	0.1333
Brugia malayi	tailless protein	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.7492	0.8975	0.9484
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0839	0.0847	0.081
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0839	0.0847	0.081
Brugia malayi	steroid hormone receptor	0.0839	0.0847	0.081
Schistosoma mansoni	nuclear hormone receptor	0.0396	0.0306	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0839	0.0847	0.081
Loa Loa (eye worm)	hypothetical protein	0.0839	0.0847	0.081
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Brugia malayi	nuclear receptor RXR	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0839	0.0847	0.081
Brugia malayi	nuclear receptor RXR	0.0443	0.0364	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0443	0.0364	0.0294
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0839	0.0847	0.081
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0839	0.0847	0.081
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0443	0.0364	0.0294
Brugia malayi	ecdysone receptor	0.0396	0.0306	0.0232
Loa Loa (eye worm)	steroid hormone receptor	0.0839	0.0847	0.081
Loa Loa (eye worm)	nuclear hormone receptor	0.0396	0.0306	0.0232
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0839	0.0847	0.0989
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0839	0.0847	0.1098
Schistosoma mansoni	retinoic acid receptor RXR	0.4877	0.578	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0839	0.0847	0.0989
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0839	0.0847	0.1098
Loa Loa (eye worm)	hypothetical protein	0.0839	0.0847	0.081
Loa Loa (eye worm)	hypothetical protein	0.0839	0.0847	0.081
Schistosoma mansoni	nuclear hormone receptor	0.0396	0.0306	0.0381
Loa Loa (eye worm)	hypothetical protein	0.3604	0.4225	0.4415
Loa Loa (eye worm)	hypothetical protein	0.0443	0.0364	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0443	0.0364	0.0294
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0839	0.0847	0.081
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.4877	0.578	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.1132	0.1205	0.1961
Brugia malayi	nuclear hormone receptor	0.0839	0.0847	0.081
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0839	0.0847	0.081
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0839	0.0847	0.081
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0839	0.0847	0.081
Brugia malayi	Nuclear hormone receptor-like 1	0.0443	0.0364	0.0294
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0839	0.0847	0.1333
Schistosoma mansoni	zinc finger protein	0.0396	0.0306	0.0381
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0839	0.0847	0.081
Brugia malayi	ecdysteroid receptor	0.0839	0.0847	0.081
Brugia malayi	nuclear hormone receptor family member odr-7	0.0396	0.0306	0.0232
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0443	0.0364	0.0483
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0839	0.0847	0.1098
Schistosoma mansoni	nuclear receptor nhr-48	0.0396	0.0306	0.0381
Schistosoma mansoni	RAR-like nuclear receptor	0.0839	0.0847	0.1333
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0839	0.0847	0.1098
Brugia malayi	conserved hypotetical protein	0.0396	0.0306	0.0232
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0443	0.0364	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0839	0.0847	0.081
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0396	0.0306	0.0232
Schistosoma mansoni	nuclear receptor	0.0396	0.0306	0.0381
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0839	0.0847	0.1333
Brugia malayi	nuclear receptor NHR-88	0.0396	0.0306	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0396	0.0306	0.0232
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0443	0.0364	0.0483
Brugia malayi	hypothetical protein	0.0443	0.0364	0.0294
Schistosoma mansoni	thyroid hormone receptor	0.0839	0.0847	0.1333
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0839	0.0847	0.081
Schistosoma mansoni	nuclear receptor	0.0396	0.0306	0.0381
Brugia malayi	photoreceptor-specific nuclear receptor	0.0839	0.0847	0.081
Loa Loa (eye worm)	hypothetical protein	0.0839	0.0847	0.081
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0839	0.0847	0.081
Brugia malayi	Nuclear hormone receptor-like 1	0.0443	0.0364	0.0294
Brugia malayi	nuclear hormone receptor	0.7888	0.9458	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0839	0.0847	0.081
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.3604	0.4225	0.4415
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0839	0.0847	0.1333
Brugia malayi	Nuclear hormone receptor-like 1	0.0839	0.0847	0.081
Loa Loa (eye worm)	hypothetical protein	0.3503	0.4101	0.4282
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0839	0.0847	0.1333
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0839	0.0847	0.081
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0839	0.0847	0.081
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0839	0.0847	0.1098
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0839	0.0847	0.081
Loa Loa (eye worm)	DR-78	0.0396	0.0306	0.0232
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0443	0.0364	0.0294
Brugia malayi	Nuclear hormone receptor E75	0.0396	0.0306	0.0232
Schistosoma mansoni	thyroid hormone receptor	0.0839	0.0847	0.1333
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0839	0.0847	0.081
Brugia malayi	hypothetical protein	0.0396	0.0306	0.0232
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0839	0.0847	0.1333
Schistosoma mansoni	coup transcription factor	0.0839	0.0847	0.1333
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0839	0.0847	0.0989

Activities

Activity type	Activity value	Assay description	Source	Reference
Ka(T4) (binding)	= 0.7 %	Ability of the compound to displace L-[125I]-thyoxine from the high affinity prealbumin binding site was expressed as ratio of its apparent association constant to that of L-thyroxine	ChEMBL.	7108895
Ka(T4) (binding)	= 0.7 %	Ability of the compound to displace L-[125I]-thyoxine from the high affinity prealbumin binding site was expressed as ratio of its apparent association constant to that of L-thyroxine	ChEMBL.	7108895

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 283195