TDR Targets

Basic information

Technical information

TDR Targets ID: 155808
Name: 1-[4-[(4-acetyl-2-ethyl-3-hydroxyphenyl)metho xy]phenyl]-3,3-dimethyl-4-(2H-tetrazol-5-yl)b utan-1-one
MW: 436.504 | Formula: C24H28N4O4
H donors: 2 H acceptors: 6 LogP: 4.49 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCc1c(COc2ccc(cc2)C(=O)CC(Cc2nnn[nH]2)(C)C)ccc(c1O)C(=O)C
InChi: 1S/C24H28N4O4/c1-5-19-17(8-11-20(15(2)29)23(19)31)14-32-18-9-6-16(7-10-18)21(30)12-24(3,4)13-22-25-27-28-26-22/h6-11,31H,5,12-14H2,1-4H3,(H,25,26,27,28)
InChiKey: KERGPDLLWIIXEI-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

1-[4-[(4-acetyl-2-ethyl-3-hydroxy-phenyl)methoxy]phenyl]-3,3-dimethyl-4-(2H-tetrazol-5-yl)butan-1-one
1-[4-[(4-acetyl-2-ethyl-3-hydroxyphenyl)methoxy]phenyl]-3,3-dimethyl-4-(2H-tetrazol-5-yl)-1-butanone
1-[4-[(4-ethanoyl-2-ethyl-3-hydroxy-phenyl)methoxy]phenyl]-3,3-dimethyl-4-(2H-1,2,3,4-tetrazol-5-yl)butan-1-one
1-[4-(4-acetyl-2-ethyl-3-hydroxy-benzyl)oxyphenyl]-3,3-dimethyl-4-(2H-tetrazol-5-yl)butan-1-one

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
Brugia malayi	ecdysone receptor	0.0024	0.0487	0.0487
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0052	0.299	0.299
Brugia malayi	Nuclear hormone receptor E75	0.0024	0.0487	0.0487
Schistosoma mansoni	nuclear hormone receptor	0.0052	0.299	0.299
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0755	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0052	0.299	0.299
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0024	0.0487	0.0487
Schistosoma mansoni	tar DNA-binding protein	0.0128	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0052	0.299	0.299
Brugia malayi	photoreceptor-specific nuclear receptor	0.0052	0.299	0.299
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0052	0.299	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0755	0.0755
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0052	0.299	0.299
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0052	0.299	0.299
Schistosoma mansoni	tar DNA-binding protein	0.0128	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0052	0.299	0.299
Brugia malayi	nuclear receptor NHR-88	0.0024	0.0487	0.0487
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1346	0.1346
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0024	0.0487	0.0487
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0755	0.0755
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0052	0.299	0.299
Onchocerca volvulus	Protein ultraspiracle homolog	0.0052	0.299	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0052	0.299	0.299
Schistosoma mansoni	thyroid hormone receptor	0.0052	0.299	0.299
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0052	0.299	0.299
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0052	0.299	0.299
Brugia malayi	hypothetical protein	0.0024	0.0487	0.0487
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0024	0.0487	0.0487
Schistosoma mansoni	thyroid hormone receptor	0.0052	0.299	0.299
Loa Loa (eye worm)	TAR-binding protein	0.0128	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0024	0.0487	0.0487
Onchocerca volvulus		0.0024	0.0487	0.1628
Echinococcus granulosus	tar DNA binding protein	0.0128	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0027	0.0755	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0052	0.299	0.299
Brugia malayi	Nuclear hormone receptor-like 1	0.0052	0.299	0.299
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0052	0.299	0.299
Echinococcus granulosus	thyroid hormone receptor alpha	0.0024	0.0487	0.0487
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0052	0.299	0.299
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0024	0.0487	0.0487
Echinococcus multilocularis	ecdysone induced protein 78C	0.0052	0.299	0.299
Brugia malayi	hypothetical protein	0.0027	0.0755	0.0755
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0052	0.299	0.299
Brugia malayi	orphan nuclear receptor NR2E1	0.0024	0.0487	0.0487
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0052	0.299	0.299
Brugia malayi	nuclear receptor NHR-88	0.0052	0.299	0.299
Brugia malayi	nuclear hormone receptor family member odr-7	0.0024	0.0487	0.0487
Loa Loa (eye worm)	steroid hormone receptor	0.0052	0.299	0.299
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0024	0.0487	0.0487
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0052	0.299	0.299
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0052	0.299	0.299
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0024	0.0487	0.0487
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0052	0.299	0.299
Brugia malayi	RNA recognition motif domain containing protein	0.0128	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0755	0.0755
Schistosoma mansoni	nuclear receptor nhr-48	0.0024	0.0487	0.0487
Schistosoma mansoni	nuclear hormone receptor	0.0024	0.0487	0.0487
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0052	0.299	0.299
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0052	0.299	0.299
Schistosoma mansoni	hypothetical protein	0.0034	0.1346	0.1346
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0052	0.299	0.299
Brugia malayi	ecdysteroid receptor	0.0052	0.299	0.299
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0487	0.0487
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.2778	0.2778
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0755	0.0755
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0024	0.0487	0.0487
Schistosoma mansoni	retinoic acid receptor RXR	0.0052	0.299	0.299
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.2778	0.2778
Echinococcus granulosus	FTZ F1 alpha	0.0052	0.299	0.299
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0024	0.0487	0.0487
Brugia malayi	Nuclear hormone receptor E75	0.0024	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0052	0.299	0.299
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0024	0.0487	0.0487
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0052	0.299	0.299
Loa Loa (eye worm)	RNA binding protein	0.0128	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0049	0.2778	0.2778
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0024	0.0487	0.1628
Brugia malayi	nuclear hormone receptor	0.0024	0.0487	0.0487
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0052	0.299	0.299
Brugia malayi	nuclear receptor RXR	0.0024	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0755	0.0755
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0052	0.299	0.299
Echinococcus multilocularis	tar DNA binding protein	0.0128	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0052	0.299	0.299
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0052	0.299	0.299
Schistosoma mansoni	coup transcription factor	0.0052	0.299	0.299
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0052	0.299	0.299
Brugia malayi	TAR-binding protein	0.0128	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	1	1
Schistosoma mansoni	zinc finger protein	0.0024	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1346	0.1346
Echinococcus multilocularis	nuclear receptor nhr 48	0.0024	0.0487	0.0487
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0487	0.0487
Brugia malayi	hypothetical protein	0.0027	0.0755	0.0755
Onchocerca volvulus		0.0024	0.0487	0.1628
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.2778	0.2778
Loa Loa (eye worm)	hypothetical protein	0.0052	0.299	0.299
Schistosoma mansoni	nuclear hormone receptor	0.0024	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Brugia malayi	hypothetical protein	0.0024	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0755	0.0755
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0052	0.299	0.299
Schistosoma mansoni	nuclear receptor	0.0024	0.0487	0.0487
Schistosoma mansoni	nuclear receptor	0.0024	0.0487	0.0487
Brugia malayi	nuclear hormone receptor	0.0052	0.299	0.299
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0052	0.299	0.299
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0052	0.299	0.299
Brugia malayi	tailless protein	0.0024	0.0487	0.0487
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0027	0.0755	0.0755
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0052	0.299	0.299
Echinococcus granulosus	ecdysone induced protein 78C	0.0052	0.299	0.299
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0052	0.299	0.299
Brugia malayi	steroid hormone receptor	0.0052	0.299	0.299
Onchocerca volvulus		0.0052	0.299	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0024	0.0487	0.0487
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0052	0.299	0.299
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0052	0.299	0.299
Loa Loa (eye worm)	DR-78	0.0024	0.0487	0.0487
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0024	0.0487	0.0487
Echinococcus granulosus	nuclear receptor nhr 48	0.0024	0.0487	0.0487
Brugia malayi	nuclear receptor NHR-67	0.0024	0.0487	0.0487
Brugia malayi	Steroid receptor seven-up type 2	0.0052	0.299	0.299
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0052	0.299	0.299
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0024	0.0487	0.0487
Loa Loa (eye worm)	nuclear hormone receptor	0.0024	0.0487	0.0487
Schistosoma mansoni	tar DNA-binding protein	0.0128	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0052	0.299	0.299
Brugia malayi	conserved hypotetical protein	0.0024	0.0487	0.0487
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.0755	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0052	0.299	0.299
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0027	0.0755	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Schistosoma mansoni	RAR-like nuclear receptor	0.0052	0.299	0.299
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0487	0.0487
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0027	0.0755	0.0755
Onchocerca volvulus	Bile acid receptor homolog	0.0052	0.299	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0024	0.0487	0.1628
Echinococcus multilocularis	FTZ F1 alpha	0.0052	0.299	0.299
Brugia malayi	nuclear receptor RXR	0.0027	0.0755	0.0755

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 1.1 mg kg-1	Ability to block the LTD4 pressor response in pithed rats after intravenous administration	ChEMBL.	1654427
ED50 (functional)	= 1.1 mg kg-1	Ability to block the LTD4 pressor response in pithed rats after intravenous administration	ChEMBL.	1654427
pKB (functional)	= 8.09	In vitro ability to antagonize LTD4-induced contractions of guinea pig ileum.	ChEMBL.	1654427

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

PubChem: 14625921

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 155808