TDR Targets

Basic information

Technical information

TDR Targets ID: 1466564
Name: N-[5-(4-chlorobenzoyl)-2-(4-chlorophenoxy)phe nyl]-2-hydroxy-3,5-diiodobenzamide
MW: 730.117 | Formula: C26H15Cl2I2NO4
H donors: 2 H acceptors: 3 LogP: 8.38 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Clc1ccc(cc1)Oc1ccc(cc1NC(=O)c1cc(I)cc(c1O)I)C(=O)c1ccc(cc1)Cl
InChi: 1S/C26H15Cl2I2NO4/c27-16-4-1-14(2-5-16)24(32)15-3-10-23(35-19-8-6-17(28)7-9-19)22(11-15)31-26(34)20-12-18(29)13-21(30)25(20)33/h1-13,33H,(H,31,34)
InChiKey: LXHTXRZCFIWDPF-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

N-[5-(4-chlorobenzoyl)-2-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodo-benzamide
N-[2-(4-chlorophenoxy)-5-[(4-chlorophenyl)-oxomethyl]phenyl]-2-hydroxy-3,5-diiodobenzamide
N-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)carbonyl-phenyl]-2-hydroxy-3,5-diiodo-benzamide

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
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0044	0.0461
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.065	0.0955	1
Echinococcus multilocularis	calpain family protein 1, d	0.0044	0.0038	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.027
Brugia malayi	FolC bifunctional protein	0.065	0.0955	1
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.663	1	1
Schistosoma mansoni	hypothetical protein	0.008	0.0093	0.0978
Schistosoma mansoni	apoptosis regulator bax	0.008	0.0093	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0044	0.0461
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.065	0.0955	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0401
Mycobacterium leprae	possible ligase	0.065	0.0955	0.0915
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.663	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0401
Leishmania major	folylpolyglutamate synthetase	0.065	0.0955	1
Brugia malayi	calpain family protein 1	0.0062	0.0066	0.0695
Entamoeba histolytica	acyl-coA synthetase, putative	0.0048	0.0044	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0044	0.0461
Brugia malayi	calpain family protein 1	0.0062	0.0066	0.0695
Treponema pallidum	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF)	0.663	1	1
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl pentapeptide synthase	0.663	1	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.0071	0.0746
Treponema pallidum	UDP-N-acetylmuramate--L-alanine ligase	0.3839	0.5779	0.4025
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.065	0.0955	1
Chlamydia trachomatis	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase	0.1959	0.2935	0.2917
Chlamydia trachomatis	UDP-N-acetylmuramoylalanine--D-glutamate ligase	0.1959	0.2935	0.2917
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramate-alanine ligase	0.3839	0.5779	0.5333
Loa Loa (eye worm)	hypothetical protein	0.008	0.0093	0.0978
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0066	0.0071	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.027
Chlamydia trachomatis	bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase	0.3839	0.5779	0.5768
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.065	0.0955	0.822
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.1959	0.2935	0.2917
Echinococcus multilocularis	calpain A	0.0066	0.0071	0.0613
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.008	0.0093	0.0978
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0044	0.0461
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0066	0.0071	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0044	0.0461
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.065	0.0955	1
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0044	0.0461
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.008	0.0093	0.0804
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.008	0.0093	0.0978
Loa Loa (eye worm)	FolC protein	0.065	0.0955	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0048	0.0044	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.027
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.027
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl tripeptide synthase	0.1959	0.2935	0.2189
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0044	0.0461
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.065	0.0955	0.822
Mycobacterium ulcerans	UDP-N-acetylmuramate--L-alanine ligase	0.3839	0.5779	0.5768
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0787	0.1162	1
Schistosoma mansoni	hypothetical protein	0.008	0.0093	0.0978
Mycobacterium tuberculosis	Possible ligase	0.065	0.0955	0.0934
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase	0.3839	0.5779	0.5768
Onchocerca volvulus		0.0048	0.0044	0.0063
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.008	0.0093	0.0978
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0044	0.0018
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.065	0.0955	0.5
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.065	0.0955	1
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.065	0.0955	1
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0044	0.0461
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.008	0.0093	0.0804
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0048	0.0044	0.0018
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.0071	0.0746
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0048	0.0044	0.0018
Loa Loa (eye worm)	apoptosis regulator protein	0.008	0.0093	0.0978
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.065	0.0955	1
Mycobacterium leprae	ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.663	1	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0066	0.0695
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0044	1
Treponema pallidum	UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE)	0.3839	0.5779	0.4025
Plasmodium vivax	acyl-CoA synthetase, putative	0.0036	0.0026	0.027
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.008	0.0093	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0066	0.0695
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0062	0.0066	0.0695
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0044	0.0018
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.1959	0.2935	0.2904
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0044	0.0018
Mycobacterium ulcerans	UDP-N-acetylmuramyl tripeptide synthase	0.065	0.0955	0.0932
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.1959	0.2935	0.2919
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.027
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0044	0.0461
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0048	0.0044	0.0018
Trypanosoma cruzi	folylpolyglutamate synthetase	0.065	0.0955	1
Loa Loa (eye worm)	calpain family protein 1	0.0062	0.0066	0.0695
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.065	0.0955	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.0026	0.0003
Mycobacterium ulcerans	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase	0.1959	0.2935	0.2917
Loa Loa (eye worm)	calpain family protein 1	0.0044	0.0038	0.0401
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0044	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0048	0.0044	0.0018
Schistosoma mansoni	folylpolyglutamate synthase	0.065	0.0955	1
Echinococcus granulosus	calpain A	0.0066	0.0071	0.0746
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0044	0.0018
Schistosoma mansoni	hypothetical protein	0.008	0.0093	0.0978
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0048	0.0044	0.0021

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC90 (functional)	> 512 uM	Antimicrobial activity against Escherichia coli ATCC 29213 after 18 to 24 hrs by alamar blue assay	ChEMBL.	21075637

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: CHEMBL1632131

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1466564