TDR Targets

Basic information

Technical information

TDR Targets ID: 561735
Name: 2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethox ymethyl]butanoic acid
MW: 673.021 | Formula: C15H18I3NO5
H donors: 2 H acceptors: 3 LogP: 3.3 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCC(C(=O)O)COCCOc1c(I)cc(c(c1I)NC(=O)C)I
InChi: 1S/C15H18I3NO5/c1-3-9(15(21)22)7-23-4-5-24-14-11(17)6-10(16)13(12(14)18)19-8(2)20/h6,9H,3-5,7H2,1-2H3,(H,19,20)(H,21,22)
InChiKey: YMFIJXDFAPHJIN-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

2-[2-(3-acetamido-2,4,6-triiodophenoxy)ethoxymethyl]butanoic acid
2-[2-(3-acetamido-2,4,6-triiodo-phenoxy)ethoxymethyl]butyric acid
iopronic acid
41473-08-9
Butanoic, acid, 2-((2-(3-(acetylamino)-2,4,6-triiodophenoxy)ethoxy)methyl)-, (+-)-
Bilimiron (TN)
D04585
Iopronic acid (USAN)
(+-)-2-((2-(3-Acetamido-2,4,6-triiodophenoxy)ethoxy)methyl)butyric acid
2((3-Acetamino-2,4,6-triiodophenoxy)-2-ethoxy)methylbutyric acid
2-((2-(3-(Acetylamino)-2,4,6-triiodophenoxy)ethoxy)methyl)butanoic acid
3-(2-(3-Acetylamino-2,4,6-triiodophenoxy)ethoxy)-2-ethylpropionic acid
Acide iopronique [INN-French]
Acido iopronico [INN-Spanish]
Acidum iopronicum [INN-Latin]
B-11420
BRN 2782342
BUTYRIC ACID, 2-((2-(3-ACETAMIDO-2,4,6-TRIIODOPHENOXY)ETHOXY)METHYL)-
Bilimiro
Bilimiron
Butanoic acid, 2-((2-(3-(acetylamino)-2,4,6-triiodophenoxy)ethoxy)methyl)-
Butanoic acid, 2-((2-(3-(acetylamino)-2,4,6-triiodophenoxy)ethoxy)methyl)-, (+-)-
EINECS 253-643-6
Iopronic acid [USAN:BAN:INN]
Oravue
SQ-21983
Videobil

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
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0108	0.0672	0.2589
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0788	0.5834	1
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0108	0.0672	0.3094
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0192	0.1737
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0192	0.1737
Entamoeba histolytica	hypothetical protein	0.0035	0.0121	1
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0108	0.0672	0.0643
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0323	0.292
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0323	0.292
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0296	0.0507
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0108	0.0672	0.2589
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0192	0.1054
Mycobacterium ulcerans	AcrR family transcriptional regulator	0.1337	1	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0164	0.1101	1
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0108	0.0672	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0192	0.0329
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0108	0.0672	0.2589
Brugia malayi	GMP reductase	0.0048	0.0216	0.1078
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0121	0.1094
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0323	0.1803
Leishmania major	mitochondrial DNA polymerase beta	0.0296	0.2103	1
Mycobacterium ulcerans	transcriptional regulator	0.1337	1	1
Mycobacterium ulcerans	TetR family transcriptional regulator	0.1337	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0323	0.1696
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0022	0.0037
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0241	0.0358
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0108	0.0672	0.3803
Loa Loa (eye worm)	hypothetical protein	0.0023	0.003	0.013
Entamoeba histolytica	hypothetical protein	0.0035	0.0121	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.025	0.1754	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0296	0.2103	1
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.1754	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0107	0.0568
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.0919	0.4289
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0108	0.0672	0.3722
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.025	0.1754	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0121	0.1091
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0121	0.1094
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0156	0.104	0.1012
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0296	0.2103	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0156	0.0849
Brugia malayi	Bromodomain containing protein	0.0073	0.0409	0.2194
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0108	0.0672	0.2589
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0048	0.0216	0.1078
Brugia malayi	hypothetical protein	0.0035	0.0121	0.0525
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0323	0.292
Schistosoma mansoni	hypothetical protein	0.002	0.0008	0.0071
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0296	0.2677
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0108	0.0672	0.0643
Onchocerca volvulus	Putative GMP reductase	0.0048	0.0216	0.1735
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0192	0.1737
Echinococcus multilocularis	geminin	0.0165	0.1105	0.1894
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0108	0.0672	0.6081
Leishmania major	guanosine monophosphate reductase	0.0108	0.0672	0.3094
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0223	0.1118
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.1754	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.0919	0.3871
Entamoeba histolytica	hypothetical protein	0.0035	0.0121	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1168	0.1027
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0223	0.1234
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0192	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0023	0.003	0.013
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0323	0.292
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.1754	1
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.006	0.0311	0.0282
Echinococcus granulosus	geminin	0.0165	0.1105	1
Toxoplasma gondii	IMP dehydrogenas	0.0108	0.0672	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0121	0.1094
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0108	0.0672	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1168	0.1027
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0323	0.1803
Schistosoma mansoni	hypothetical protein	0.0033	0.0107	0.0968
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0108	0.0672	0.0643
Mycobacterium tuberculosis	Transcriptional regulatory repressor protein (TetR-family) EthR	0.1337	1	1
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0108	0.0672	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0377	0.2115
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0323	0.292
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0192	0.1737
Schistosoma mansoni	hypothetical protein	0.0165	0.1105	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.014	0.0919	0.3871
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0223	0.1118
Schistosoma mansoni	hypothetical protein	0.0165	0.1105	1
Trypanosoma cruzi	GMP reductase	0.0108	0.0672	0.2589
Loa Loa (eye worm)	hypothetical protein	0.0023	0.003	0.013
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0296	0.2103	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0192	0.1737
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.1754	1
Brugia malayi	RNA binding protein	0.0062	0.0323	0.1696
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0322	0.2916
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0323	0.292
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0323	0.0553
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0108	0.0672	0.6081
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0139	0.0749
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.006	0.0311	0.0282
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0108	0.0672	0.1152
Loa Loa (eye worm)	GMP reductase	0.0048	0.0216	0.1194
Brugia malayi	PHD-finger family protein	0.0024	0.0039	0.0051
Brugia malayi	Bromodomain containing protein	0.0037	0.0138	0.0624
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.1754	1
Mycobacterium ulcerans	hypothetical protein	0.0156	0.104	0.1012
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0121	0.0207
Entamoeba histolytica	hypothetical protein	0.0035	0.0121	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0223	0.1234
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0192	0.0937
Loa Loa (eye worm)	hypothetical protein	0.0041	0.017	0.0929
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.1754	1
Brugia malayi	TAR-binding protein	0.0062	0.0323	0.1696
Trypanosoma cruzi	GMP reductase	0.0108	0.0672	0.2589
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0107	0.0444
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0022	0.0198
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0022	0.0198
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0108	0.0672	0.5
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0048	0.0216	0.1078
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0048	0.0216	0.0186
Trypanosoma brucei	GMP reductase	0.0108	0.0672	0.2589
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0121	0.0207
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0323	0.1803
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0048	0.0216	0.0186

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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PubChem: 37822

Bibliographic References

No literature references available for this target.

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Detailed information for compound 561735