TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.465 | Formula: C23H27NO3
H donors: 0 H acceptors: 1 LogP: 3.93 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C=CCN1[C@@H](CC(=O)[C@H]([C@@H]1c1ccc(cc1)OC)C)c1ccc(cc1)OC
InChi: 1S/C23H27NO3/c1-5-14-24-21(17-6-10-19(26-3)11-7-17)15-22(25)16(2)23(24)18-8-12-20(27-4)13-9-18/h5-13,16,21,23H,1,14-15H2,2-4H3/t16-,21+,23-/m1/s1
InChiKey: TXOQPHZSRZAVCM-XORNHQRDSA-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

No synonyms found for this compound

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
Mycobacterium ulcerans	hypothetical protein	0.015	0.5437	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0149	0.5384	0.5384
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0079	0.2338	0.2338
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.007	0.1972	0.251
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0179	0.6691	1
Brugia malayi	conserved hypotetical protein	0.007	0.1972	0.1972
Mycobacterium tuberculosis	Probable aminotransferase	0.015	0.5437	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0149	0.5384	0.5384
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0391	0.0391
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Brugia malayi	nuclear receptor NHR-88	0.007	0.1972	0.1972
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0149	0.5384	0.723
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0149	0.5384	0.723
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0149	0.5384	0.723
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0149	0.5384	0.5384
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0149	0.5384	0.5384
Echinococcus granulosus	ecdysone induced protein 78C	0.0149	0.5384	0.723
Schistosoma mansoni	RAR-like nuclear receptor	0.0149	0.5384	0.7926
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.007	0.1972	0.1972
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0149	0.5384	0.425
Brugia malayi	nuclear hormone receptor	0.007	0.1972	0.1972
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0149	0.5384	0.7926
Onchocerca volvulus	Protein ultraspiracle homolog	0.0149	0.5384	0.425
Echinococcus multilocularis	ecdysone induced protein 78C	0.0149	0.5384	0.723
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0149	0.5384	0.723
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0149	0.5384	0.5384
Brugia malayi	nuclear receptor RXR	0.007	0.1972	0.1972
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0149	0.5384	0.5384
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.007	0.1972	0.251
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5384	0.5384
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0149	0.5384	0.5384
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1069	0.1069
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0149	0.5384	0.723
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2338	0.2338
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2338	0.2338
Loa Loa (eye worm)	nuclear receptor NHR-67	0.007	0.1972	0.1972
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0149	0.5384	0.5384
Brugia malayi	hypothetical protein	0.0079	0.2338	0.2338
Brugia malayi	Nuclear hormone receptor-like 1	0.0079	0.2338	0.2338
Brugia malayi	nuclear receptor NHR-88	0.0149	0.5384	0.5384
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Brugia malayi	Steroid receptor seven-up type 2	0.0149	0.5384	0.5384
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0149	0.5384	0.7926
Echinococcus multilocularis	FTZ F1 alpha	0.0149	0.5384	0.723
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0149	0.5384	0.5384
Schistosoma mansoni	retinoic acid receptor RXR	0.0149	0.5384	0.7926
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0149	0.5384	0.5384
Brugia malayi	steroid hormone receptor	0.0149	0.5384	0.5384
Brugia malayi	nuclear hormone receptor family member nhr-6	0.007	0.1972	0.1972
Schistosoma mansoni	nuclear hormone receptor	0.007	0.1972	0.251
Schistosoma mansoni	coup transcription factor	0.0149	0.5384	0.7926
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0149	0.5384	0.5384
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5384	0.5384
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5384	0.5384
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0149	0.5384	0.7926
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0149	0.5384	0.5384
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0079	0.2338	0.309
Brugia malayi	Nuclear hormone receptor-like 1	0.0079	0.2338	0.2338
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5384	0.5384
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.007	0.1972	0.1972
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Schistosoma mansoni	nuclear receptor	0.007	0.1972	0.251
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1069	0.1069
Brugia malayi	nuclear receptor NHR-67	0.007	0.1972	0.1972
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2338	0.2338
Schistosoma mansoni	nuclear hormone receptor	0.007	0.1972	0.251
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0079	0.2338	0.0774
Brugia malayi	Nuclear hormone receptor E75	0.007	0.1972	0.1972
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.015	0.5437	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1069	0.1069
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0149	0.5384	0.7926
Onchocerca volvulus	Bile acid receptor homolog	0.0149	0.5384	0.425
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5384	0.5384
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.015	0.5437	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0149	0.5384	0.7926
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.5384	0.7926
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0179	0.6691	0.6691
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0149	0.5384	0.723
Onchocerca volvulus		0.0149	0.5384	0.425
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0079	0.2338	0.0774
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0149	0.5384	0.723
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0149	0.5384	0.723
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0179	0.6691	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0149	0.5384	0.5384
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0179	0.6691	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0179	0.6691	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1069	0.1069
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0149	0.5384	0.5384
Loa Loa (eye worm)	DR-78	0.007	0.1972	0.1972
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0149	0.5384	0.5384
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0391	0.0391
Brugia malayi	nuclear receptor RXR	0.0079	0.2338	0.2338
Schistosoma mansoni	nuclear receptor nhr-48	0.007	0.1972	0.251
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.015	0.5437	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Schistosoma mansoni	zinc finger protein	0.007	0.1972	0.251
Brugia malayi	orphan nuclear receptor NR2E1	0.007	0.1972	0.1972
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0179	0.6691	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0149	0.5384	0.5384
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2338	0.2338
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2338	0.2338
Brugia malayi	photoreceptor-specific nuclear receptor	0.0149	0.5384	0.5384
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0149	0.5384	0.5384
Loa Loa (eye worm)	hypothetical protein	0.007	0.1972	0.1972
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0149	0.5384	0.723
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0149	0.5384	0.723
Echinococcus granulosus	FTZ F1 alpha	0.0149	0.5384	0.723
Brugia malayi	nuclear hormone receptor family member odr-7	0.007	0.1972	0.1972
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0149	0.5384	0.7926
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5384	0.5384
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0149	0.5384	0.7926
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0149	0.5384	0.7926
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0179	0.6691	0.6691
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5384	0.5384
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0079	0.2338	0.309
Brugia malayi	ecdysone receptor	0.007	0.1972	0.1972
Loa Loa (eye worm)	steroid hormone receptor	0.0149	0.5384	0.5384
Brugia malayi	tailless protein	0.007	0.1972	0.1972
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0149	0.5384	0.723
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0179	0.6691	1
Brugia malayi	nuclear hormone receptor	0.0149	0.5384	0.5384
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0149	0.5384	0.5384
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0149	0.5384	0.723
Brugia malayi	Nuclear hormone receptor-like 1	0.0149	0.5384	0.5384
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5384	0.5384
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0149	0.5384	0.723
Brugia malayi	hypothetical protein	0.007	0.1972	0.1972
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.5384	0.7926
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0179	0.6691	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0149	0.5384	0.5384
Brugia malayi	hypothetical protein	0.007	0.1972	0.1972
Brugia malayi	hypothetical protein	0.0079	0.2338	0.2338
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0149	0.5384	0.723
Brugia malayi	Nuclear hormone receptor E75	0.007	0.1972	0.1972
Loa Loa (eye worm)	nuclear hormone receptor	0.007	0.1972	0.1972
Brugia malayi	ecdysteroid receptor	0.0149	0.5384	0.5384
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0149	0.5384	0.5384
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.015	0.5437	0.5
Schistosoma mansoni	nuclear receptor	0.007	0.1972	0.251

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 50 ug ml-1	Antibacterial activity against Escherichia coli ATCC 26032 after 24 hrs by two fold serial dilution method	ChEMBL.	23031593

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: CHEMBL2159595

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 1722403