TDR Targets

Basic information

Technical information

TDR Targets ID: 59231
Name: 3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenox y)benzoic acid
MW: 341.186 | Formula: C16H14Cl2O4
H donors: 2 H acceptors: 3 LogP: 5 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cc(Cl)c(c(c1)Cl)Oc1ccc(c(c1)C(C)C)O
InChi: 1S/C16H14Cl2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)
InChiKey: TVQYCFFCYRSFQF-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

3,5-dichloro-4-(4-hydroxy-3-isopropyl-phenoxy)benzoic acid
3,5-dichloro-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid
3,5-dichloro-4-(4-hydroxy-3-propan-2-yl-phenoxy)benzoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid hormone receptor, alpha	Starlite/ChEMBL	References
Homo sapiens	thyroid hormone receptor, beta	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Loa Loa (eye worm)	nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_156853	All targets in OG5_156853
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, alpha	451 aa	372 aa	25.3 %
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Cathepsin L homolog	0.0142	0.2886	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0142	0.2886	0.6689
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.3293	0.7633
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Brugia malayi	Cathepsin L-like precursor	0.0142	0.2886	0.2886
Echinococcus multilocularis	cysteine protease	0.0142	0.2886	0.6689
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0301	0.9518	1
Leishmania major	cysteine peptidase A (CPA)	0.0142	0.2886	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0142	0.2886	0.8763
Trypanosoma cruzi	cysteine peptidase, putative	0.0142	0.2886	1
Onchocerca volvulus		0.0142	0.2886	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Schistosoma mansoni	hypothetical protein	0.0152	0.3293	0.7633
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1
Onchocerca volvulus		0.0142	0.2886	1
Entamoeba histolytica	cysteine proteinase, putative	0.0142	0.2886	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0142	0.2886	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0142	0.2886	0.8763
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0142	0.2886	1
Brugia malayi	Cathepsin L-like precursor	0.0095	0.0918	0.0918
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0142	0.2886	0.6689
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0918	0.3182
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Leishmania major	cathepsin L-like protease	0.0142	0.2886	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0142	0.2886	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0142	0.2886	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0142	0.2886	0.2288
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Brugia malayi	Cathepsin L-like precursor	0.0142	0.2886	0.2886
Brugia malayi	Cathepsin L-like precursor	0.0095	0.0918	0.0918
Loa Loa (eye worm)	ctsf protein	0.0142	0.2886	0.2288
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Leishmania major	cathepsin L-like protease	0.0142	0.2886	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Loa Loa (eye worm)	hypothetical protein	0.0142	0.2886	0.2288
Brugia malayi	Cathepsin L-like precursor	0.0142	0.2886	0.2886
Schistosoma mansoni	thyroid hormone receptor	0.0176	0.4315	1
Leishmania major	cathepsin L-like protease	0.0142	0.2886	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0301	0.9518	0.9518
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Onchocerca volvulus		0.0142	0.2886	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Brugia malayi	Papain family cysteine protease containing protein	0.0142	0.2886	0.2886
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Loa Loa (eye worm)	fibroinase	0.0142	0.2886	0.2288
Loa Loa (eye worm)	cysteine protease	0.0142	0.2886	0.2288
Plasmodium vivax	vivapain-2	0.0142	0.2886	1
Leishmania major	cathepsin L-like protease	0.0142	0.2886	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0095	0.0918	0.0918
Onchocerca volvulus		0.0142	0.2886	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0142	0.2886	0.6689
Entamoeba histolytica	cysteine proteinase, putative	0.0095	0.0918	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Onchocerca volvulus		0.0142	0.2886	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0142	0.2886	0.6689
Toxoplasma gondii	cathepsin CPL	0.0142	0.2886	0.5
Onchocerca volvulus		0.0142	0.2886	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0142	0.2886	0.6689
Plasmodium vivax	vivapain-2	0.0142	0.2886	1
Brugia malayi	cathepsin L-like precursor	0.0095	0.0918	0.0918
Entamoeba histolytica	cysteine protease, putative	0.0142	0.2886	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0095	0.0918	0.2128
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0301	0.9518	0.9518
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1
Leishmania major	cathepsin L-like protease	0.0142	0.2886	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0142	0.2886	1
Schistosoma mansoni	thyroid hormone receptor	0.0176	0.4315	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0142	0.2886	1
Onchocerca volvulus		0.0142	0.2886	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.9461	0.9933
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0918	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0142	0.2886	1
Echinococcus multilocularis	cysteine protease	0.0142	0.2886	0.6689
Brugia malayi	Cathepsin L-like precursor	0.0142	0.2886	0.2886
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0142	0.2886	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0142	0.2886	0.2288
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.3293	1
Echinococcus granulosus	cathepsin l1	0.0095	0.0918	0.2788
Echinococcus multilocularis	cathepsin L cysteine protease	0.0142	0.2886	0.6689
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1
Brugia malayi	Cathepsin L-like precursor	0.0142	0.2886	0.2886
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0095	0.0918	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Entamoeba histolytica	cysteine proteinase, putative	0.0142	0.2886	1
Leishmania major	cathepsin L-like protease	0.0142	0.2886	0.5
Brugia malayi	Cathepsin L-like precursor	0.0142	0.2886	0.2886
Leishmania major	cathepsin L-like protease	0.0142	0.2886	0.5
Leishmania major	cathepsin L-like protease	0.0142	0.2886	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0142	0.2886	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0142	0.2886	1
Echinococcus granulosus	cathepsin l1	0.0142	0.2886	0.8763
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0176	0.4315	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0142	0.2886	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 150 nM	Effect of the compound on CHO-K1 cells stably transfected with Thyroid hormone receptor beta and analkaline phosphate reporter gene downstream thyroid response element TRAF-beta1 was determined	ChEMBL.	12699376
EC50 (binding)	= 150 nM	Effect of the compound on CHO-K1 cells stably transfected with Thyroid hormone receptor beta and analkaline phosphate reporter gene downstream thyroid response element TRAF-beta1 was determined	ChEMBL.	12699376
EC50 (binding)	= 190 nM	Effect of the compound on CHO-K1 cells stably transfected with Thyroid hormone receptor alpha (TRalpha1) and analkaline phosphate reporter gene downstream thyroid response element TRAF-alpha1 was determined	ChEMBL.	12699376
EC50 (binding)	= 190 nM	Effect of the compound on CHO-K1 cells stably transfected with Thyroid hormone receptor alpha (TRalpha1) and analkaline phosphate reporter gene downstream thyroid response element TRAF-alpha1 was determined	ChEMBL.	12699376
IC50 (binding)	= 6.89	Inhibition of thyroid hormone receptor alpha (unknown origin)	ChEMBL.	17467994
IC50 (binding)	= 7.68	Inhibition of human thyroid hormone receptor beta 1	ChEMBL.	17524652
IC50 (binding)	= 7.68	Inhibition of thyroid hormone receptor beta (unknown origin)	ChEMBL.	17467994
IC50 (binding)	= 21 nM	Concentration of the compound required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor beta) was determined	ChEMBL.	12699376
IC50 (binding)	= 21 nM	Concentration of the compound required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor beta) was determined	ChEMBL.	12699376
IC50 (binding)	= 130 nM	Concentration of the compound required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined	ChEMBL.	12699376
IC50 (binding)	= 130 nM	Concentration of the compound required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined	ChEMBL.	12699376
Log IC50 (binding)	= 6.89	Inhibition of thyroid hormone receptor alpha (unknown origin)	ChEMBL.	17467994
Log IC50 (binding)	= 7.68	Inhibition of human thyroid hormone receptor beta 1	ChEMBL.	17524652
Log IC50 (binding)	= 7.68	Inhibition of thyroid hormone receptor beta (unknown origin)	ChEMBL.	17467994
Ratio (binding)	= 1.3	Ratio of chronic administration of the compound on TRAF alpha1 receptor to that of chronic administration of the compound on TRAF beta1 receptor was determined	ChEMBL.	12699376
Ratio (binding)	= 3.7	Ratio of concentration of the compound required to inhibit 50% of I-T3 binding to hTR-alpha1 to that of concentration of the compound required to inhibit 50% of I-T3 binding to hTR-beta1 was determined	ChEMBL.	12699376
Ratio (binding)	= 1.3	Ratio of chronic administration of the compound on TRAF alpha1 receptor to that of chronic administration of the compound on TRAF beta1 receptor was determined	ChEMBL.	12699376
Ratio (binding)	= 3.7	Ratio of concentration of the compound required to inhibit 50% of I-T3 binding to hTR-alpha1 to that of concentration of the compound required to inhibit 50% of I-T3 binding to hTR-beta1 was determined	ChEMBL.	12699376

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: CHEMBL40738
PubChem: 9862799

Bibliographic References

3 literature references were 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 59231