TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 336.319 | Formula: C17H21O5P
H donors: 3 H acceptors: 4 LogP: 2.82 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(OCP(=O)(O)O)cc(c1Cc1ccc(c(c1)C)O)C
InChi: 1S/C17H21O5P/c1-11-7-15(22-10-23(19,20)21)8-12(2)16(11)9-14-4-5-17(18)13(3)6-14/h4-8,18H,9-10H2,1-3H3,(H2,19,20,21)
InChiKey: OYZZBRHSILKBDZ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	hypothetical protein	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_156853	All targets in OG5_156853
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
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
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
Schistosoma mansoni	thyroid hormone receptor	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	thyroid hormone receptor alpha	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
Schistosoma mansoni	thyroid hormone receptor	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

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
Echinococcus granulosus	Excitatory amino acid transporter	0.0122	0.3589	0.7793
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0054	0.1292	0.2316
Loa Loa (eye worm)	hypothetical protein	0.003	0.0465	0.0484
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0049	0.0049
Echinococcus granulosus	ecdysone induced protein 78C	0.0024	0.0287	0.0522
Onchocerca volvulus	Excitatory amino acid transporter homolog	0.0122	0.3589	1
Echinococcus granulosus	neutral amino acid transporter	0.0122	0.3589	0.7793
Echinococcus granulosus	lamin dm0	0.003	0.0465	0.0916
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0024	0.0287	0.0287
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.1316	0.1369
Echinococcus granulosus	neutral amino acid transporter A	0.0122	0.3589	0.7793
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0024	0.0287	0.0442
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0024	0.0287	0.0442
Echinococcus granulosus	excitatory amino acid transporter 2	0.0122	0.3589	0.7793
Echinococcus multilocularis	ecdysone induced protein 78C	0.0024	0.0287	0.0442
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0287	0.0442
Brugia malayi	photoreceptor-specific nuclear receptor	0.0024	0.0287	0.0287
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0024	0.0287	0.0442
Echinococcus multilocularis	excitatory amino acid transporter 3	0.0122	0.3589	0.6597
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0024	0.0287	0.0298
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0024	0.0287	0.0287
Loa Loa (eye worm)	excitatory amino acid transporter	0.0122	0.3589	0.3734
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0024	0.0287	0.0287
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0024	0.0287	0.0522
Brugia malayi	nuclear hormone receptor	0.0024	0.0287	0.0287
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0024	0.0287	0.0298
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0024	0.0287	0.0522
Schistosoma mansoni	retinoic acid receptor RXR	0.0024	0.0287	0.0442
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0024	0.0287	0.0298
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0024	0.0287	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0298
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.073	0.073
Onchocerca volvulus		0.003	0.0465	0.0541
Brugia malayi	nuclear receptor NHR-88	0.0024	0.0287	0.0287
Echinococcus multilocularis	neutral amino acid transporter A	0.0122	0.3589	0.6597
Brugia malayi	ecdysteroid receptor	0.0024	0.0287	0.0287
Schistosoma mansoni	lamin	0.003	0.0465	0.0775
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.1316	0.1316
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0024	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1316	0.1369
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0024	0.0287	0.0298
Echinococcus granulosus	excitatory amino acid transporter 2	0.0122	0.3589	0.7793
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0024	0.0287	0.0442
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0024	0.0287	0.0442
Echinococcus granulosus	lamin	0.003	0.0465	0.0916
Schistosoma mansoni	solute carrier family 1 (glial high affinity glutamate transporter	0.0122	0.3589	0.6597
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0176	0.5415	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0049	0.0049
Schistosoma mansoni	RAR-like nuclear receptor	0.0024	0.0287	0.0442
Schistosoma mansoni	hypothetical protein	0.0152	0.4592	0.8465
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0287	0.0287
Brugia malayi	steroid hormone receptor	0.0024	0.0287	0.0287
Echinococcus multilocularis	musashi	0.003	0.0465	0.0775
Schistosoma mansoni	lamin	0.003	0.0465	0.0775
Echinococcus multilocularis	lamin	0.003	0.0465	0.0775
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0024	0.0287	0.0522
Brugia malayi	MH2 domain containing protein	0.0116	0.3377	0.3377
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0298
Schistosoma mansoni	intermediate filament proteins	0.003	0.0465	0.0775
Echinococcus granulosus	sodium:dicarboxylate symporter	0.0122	0.3589	0.7793
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0298
Echinococcus multilocularis	neutral amino acid transporter A	0.0122	0.3589	0.6597
Echinococcus multilocularis	lamin dm0	0.003	0.0465	0.0775
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0298
Treponema pallidum	glutamate transporter	0.0054	0.1292	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0024	0.0287	0.0298
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0287	0.0442
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0122	0.3589	0.6597
Wolbachia endosymbiont of Brugia malayi	Na+/H+-dicarboxylate symporter	0.0122	0.3589	0.5
Treponema pallidum	glutamate/aspartate transporter	0.0054	0.1292	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0465	0.0484
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0298
Schistosoma mansoni	hypothetical protein	0.0038	0.073	0.1268
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0024	0.0287	0.0442
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0287	0.0287
Brugia malayi	Nuclear hormone receptor-like 1	0.0301	0.9612	0.9612
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0024	0.0287	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0049	0.0051
Schistosoma mansoni	thyroid hormone receptor	0.0176	0.5415	1
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0054	0.1292	0.2316
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0287	0.0287
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0054	0.1292	0.2316
Echinococcus multilocularis	Excitatory amino acid transporter	0.0122	0.3589	0.6597
Brugia malayi	Steroid receptor seven-up type 2	0.0024	0.0287	0.0287
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0024	0.0287	0.0522
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0122	0.3589	0.6597
Echinococcus granulosus	excitatory amino acid transporter 3	0.0122	0.3589	0.7793
Echinococcus granulosus	FTZ F1 alpha	0.0024	0.0287	0.0522
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0465	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0038	0.073	0.0759
Brugia malayi	Excitatory amino acid transporter	0.0122	0.3589	0.3589
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0287	0.0287
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0024	0.0287	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0298
Schistosoma mansoni	nuclear hormone receptor	0.0024	0.0287	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0298
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.4592	0.8465
Mycobacterium tuberculosis	Probable C4-dicarboxylate-transport transmembrane protein DctA	0.0122	0.3589	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0024	0.0287	0.0442
Echinococcus granulosus	neutral amino acid transporter A	0.0122	0.3589	0.7793
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.3377	0.3513
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0122	0.3589	0.6597
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0054	0.1292	0.2316
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0024	0.0287	0.0287
Schistosoma mansoni	thyroid hormone receptor	0.0176	0.5415	1
Echinococcus multilocularis	Excitatory amino acid transporter	0.0122	0.3589	0.6597
Echinococcus granulosus	Excitatory amino acid transporter	0.0122	0.3589	0.7793
Onchocerca volvulus		0.003	0.0465	0.0541
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0122	0.3589	0.6597
Echinococcus multilocularis	neutral amino acid transporter A	0.0122	0.3589	0.6597
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0287	0.0298
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0024	0.0287	0.0287
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0024	0.0287	0.0287
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.1316	0.1316
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.3377	0.3513
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0049	0.0051
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0447	0.0465
Brugia malayi	Nuclear hormone receptor-like 1	0.0301	0.9612	0.9612
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0024	0.0287	0.0442
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0024	0.0287	0.0442
Schistosoma mansoni	coup transcription factor	0.0024	0.0287	0.0442
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0024	0.0287	0.0298
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0024	0.0287	0.0442
Echinococcus multilocularis	FTZ F1 alpha	0.0024	0.0287	0.0442
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0465	0.0465
Chlamydia trachomatis	glutamate symporter	0.0122	0.3589	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0024	0.0287	0.0442
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0287	0.0522
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0301	0.9612	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0287	0.0522
Echinococcus granulosus	intermediate filament protein	0.003	0.0465	0.0916
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.4592	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.9565	0.9952
Brugia malayi	intermediate filament protein	0.003	0.0465	0.0465

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 89.7 nM	Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assay	ChEMBL.	18975928
Ki (binding)	= 897 nM	Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay	ChEMBL.	18975928

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: CHEMBL485927

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 993746