TDR Targets

Basic information

Technical information

TDR Targets ID: 1702534
Name: 1-[[(2R,4R)-4-bromo-2-(2,4-dichlorophenyl)oxo lan-2-yl]methyl]-1,2,4-triazole
MW: 377.064 | Formula: C13H12BrCl2N3O
H donors: 0 H acceptors: 2 LogP: 3.35 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Br[C@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1Cl)Cl
InChi: 1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2/t9-,13+/m1/s1
InChiKey: HJJVPARKXDDIQD-RNCFNFMXSA-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

1-[[(2R,4R)-4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole
1-[[(2R,4R)-4-bromo-2-(2,4-dichlorophenyl)-2-tetrahydrofuranyl]methyl]-1,2,4-triazole
NCGC00163866-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Nuclear receptor subfamily 1 group I member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Nuclear hormone receptor E75	Nuclear receptor subfamily 1 group I member 2	431 aa	359 aa	22.0 %
Loa Loa (eye worm)	hypothetical protein	Nuclear receptor subfamily 1 group I member 2	431 aa	381 aa	26.2 %
Onchocerca volvulus		Nuclear receptor subfamily 1 group I member 2	431 aa	390 aa	24.6 %
Schistosoma japonicum	Probable nuclear hormone receptor HR3, putative	Nuclear receptor subfamily 1 group I member 2	431 aa	487 aa	24.4 %
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	Nuclear receptor subfamily 1 group I member 2	431 aa	440 aa	23.0 %
Echinococcus granulosus	ecdysone induced protein 78C	Nuclear receptor subfamily 1 group I member 2	431 aa	348 aa	28.2 %
Echinococcus multilocularis	ecdysone induced protein 78C	Nuclear receptor subfamily 1 group I member 2	431 aa	348 aa	28.2 %
Loa Loa (eye worm)	hypothetical protein	Nuclear receptor subfamily 1 group I member 2	431 aa	400 aa	29.8 %
Brugia malayi	photoreceptor-specific nuclear receptor	Nuclear receptor subfamily 1 group I member 2	431 aa	378 aa	25.1 %
Onchocerca volvulus	C-mannosyltransferase dpy-19 homolog	Nuclear receptor subfamily 1 group I member 2	431 aa	397 aa	29.2 %
Loa Loa (eye worm)	hypothetical protein	Nuclear receptor subfamily 1 group I member 2	431 aa	417 aa	24.0 %
Schistosoma mansoni	retinoic acid receptor RXR	Nuclear receptor subfamily 1 group I member 2	431 aa	412 aa	25.5 %
Brugia malayi	ecdysteroid receptor	Nuclear receptor subfamily 1 group I member 2	431 aa	394 aa	26.9 %
Onchocerca volvulus		Nuclear receptor subfamily 1 group I member 2	431 aa	424 aa	24.1 %
Brugia malayi	nuclear hormone receptor	Nuclear receptor subfamily 1 group I member 2	431 aa	394 aa	26.4 %
Onchocerca volvulus		Nuclear receptor subfamily 1 group I member 2	431 aa	379 aa	24.5 %
Loa Loa (eye worm)	hypothetical protein	Nuclear receptor subfamily 1 group I member 2	431 aa	378 aa	25.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0055	0.0414	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0414	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0055	0.0414	1
Echinococcus multilocularis	microtubule associated protein 2	0.0727	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0207	0.2581	0.2581
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0055	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0414	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0055	0.0414	0.0414
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0081	0.1958
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0029	0.0044	0.0044
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0036	0.0869
Echinococcus granulosus	lamin dm0	0.0028	0.0036	0.0036
Brugia malayi	nuclear receptor RXR	0.0029	0.0044	0.1071
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0081	0.1958
Echinococcus granulosus	intermediate filament protein	0.0028	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0689
Onchocerca volvulus	Bile acid receptor homolog	0.0055	0.0414	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0055	0.0414	0.0414
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0055	0.0414	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0055	0.0414	0.0414
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0055	0.0414	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0055	0.0414	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0029	0.0044	0.1071
Brugia malayi	ecdysteroid receptor	0.0055	0.0414	1
Echinococcus granulosus	FTZ F1 alpha	0.0055	0.0414	0.0414
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0036	0.0036
Schistosoma mansoni	lamin	0.0028	0.0036	0.0036
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0055	0.0414	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0207	0.2581	0.2581
Schistosoma mansoni	hypothetical protein	0.0043	0.025	0.025
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0036	0.0869
Echinococcus multilocularis	ecdysone induced protein 78C	0.0055	0.0414	0.0414
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.025	0.025
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0055	0.0414	0.0414
Brugia malayi	hypothetical protein	0.0043	0.025	0.6045
Brugia malayi	Nuclear hormone receptor-like 1	0.0055	0.0414	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0055	0.0414	0.0414
Onchocerca volvulus		0.0028	0.0036	0.0869
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.1798	0.1798
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0055	0.0414	0.0414
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0055	0.0414	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0055	0.0414	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0174	0.2111	0.2111
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0414	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0029	0.0044	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0055	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0044	0.1071
Brugia malayi	nuclear receptor NHR-88	0.0055	0.0414	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0055	0.0414	0.0414
Schistosoma mansoni	thyroid hormone receptor	0.0207	0.2581	0.2581
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0055	0.0414	0.0414
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0145	0.1697	0.1697
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0414	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0055	0.0414	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0055	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0414	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0055	0.0414	0.0414
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0055	0.0414	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.1798	0.1798
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0055	0.0414	1
Brugia malayi	hypothetical protein	0.0029	0.0044	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0414	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0055	0.0414	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0044	0.1071
Schistosoma mansoni	lamin	0.0028	0.0036	0.0036
Echinococcus multilocularis	lamin	0.0028	0.0036	0.0036
Echinococcus multilocularis	FTZ F1 alpha	0.0055	0.0414	0.0414
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0055	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0044	0.1071
Entamoeba histolytica	hypothetical protein	0.0043	0.025	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0055	0.0414	0.0414
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0029	0.0044	0.1071
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0055	0.0414	0.0414
Onchocerca volvulus		0.0028	0.0036	0.0869
Schistosoma mansoni	coup transcription factor	0.0055	0.0414	0.0414
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0055	0.0414	0.0414
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0036	0.0869
Entamoeba histolytica	hypothetical protein	0.0043	0.025	0.5
Schistosoma mansoni	hypothetical protein	0.0152	0.1798	0.1798
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0414	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0055	0.0414	0.0414
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0055	0.0414	1
Brugia malayi	hypothetical protein	0.0029	0.0044	0.1071
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0029	0.0044	0.0044
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0055	0.0414	1
Brugia malayi	Steroid receptor seven-up type 2	0.0055	0.0414	1
Echinococcus granulosus	lamin	0.0028	0.0036	0.0036
Schistosoma mansoni	microtubule-associated protein tau	0.0727	1	1
Echinococcus multilocularis	musashi	0.0028	0.0036	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0055	0.0414	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0174	0.2111	0.2111
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0029	0.0044	0.0044
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0055	0.0414	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0055	0.0414	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0029	0.0044	0.0044
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0055	0.0414	0.0414
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.025	0.025
Schistosoma mansoni	RAR-like nuclear receptor	0.0055	0.0414	0.0414
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0055	0.0414	0.0414
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0055	0.0414	1
Entamoeba histolytica	hypothetical protein	0.0043	0.025	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0055	0.0414	0.0414
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0055	0.0414	0.0414
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.025	0.025
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0055	0.0414	1
Entamoeba histolytica	hypothetical protein	0.0043	0.025	0.5
Brugia malayi	intermediate filament protein	0.0028	0.0036	0.0869
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0044	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0055	0.0414	1
Loa Loa (eye worm)	steroid hormone receptor	0.0055	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0036	0.0869
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0055	0.0414	0.0414
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0055	0.0414	1
Brugia malayi	nuclear hormone receptor	0.0055	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0044	0.1071
Brugia malayi	steroid hormone receptor	0.0055	0.0414	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0055	0.0414	0.0414
Onchocerca volvulus		0.0055	0.0414	1
Echinococcus multilocularis	lamin dm0	0.0028	0.0036	0.0036

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS assay for small molecule activators of the rat pregnane X receptor (rPXR) signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	76.9588 uM	PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2142680

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1702534