TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 304.427 | Formula: C18H28N2O2
H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCC(=O)N(C(C)(C)C)NC(=O)c1ccccc1
InChi: 1S/C18H28N2O2/c1-5-6-7-11-14-16(21)20(18(2,3)4)19-17(22)15-12-9-8-10-13-15/h8-10,12-13H,5-7,11,14H2,1-4H3,(H,19,22)
InChiKey: IJBPQNMFTDZPCE-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bombyx mori	Ecdysone receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Bile acid receptor homolog	Get druggable targets OG5_134445	All targets in OG5_134445
Brugia malayi	ecdysteroid receptor	Get druggable targets OG5_134445	All targets in OG5_134445
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134445	All targets in OG5_134445

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	hypothetical protein	0.0006	0.0114	0.0036
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0621	0.0621
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0412	0.0336
Schistosoma mansoni	hypothetical protein	0.0016	0.0621	0.0705
Onchocerca volvulus	Bile acid receptor homolog	0.0197	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.3025	0.3435
Onchocerca volvulus		0.0059	0.2811	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0621	0.0546
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0412	0.0336
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0412	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0114	0.0036
Loa Loa (eye worm)	intermediate filament protein	0.0059	0.2811	0.2754
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0127	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0412	0.0383
Echinococcus granulosus	lamin	0.0059	0.2811	0.3131
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0127	0.5
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0161	0.0094
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0412	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1188	0.1118
Loa Loa (eye worm)	hypothetical protein	0.0027	0.1188	0.1118
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0412	0.0383
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0621	0.0621
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.2756	0.2698
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.2436	0.2376
Schistosoma mansoni	nuclear receptor	0.0006	0.0079	0.0089
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0059	0.2811	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0412	0.0336
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0412	0.0336
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0621	0.0546
Brugia malayi	cytoplasmic intermediate filament protein	0.0031	0.1404	0.1336
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0161	0.0094
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0161	0.0094
Echinococcus granulosus	intermediate filament protein	0.0059	0.2811	0.3131
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0412	0.0468
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0412	0.0336
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0412	0.0468
Echinococcus multilocularis	lamin	0.0059	0.2811	0.3131
Onchocerca volvulus		0.0012	0.0412	0.0336
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0028	0.1243	0.1335
Schistosoma mansoni	hypothetical protein	0.0174	0.8805	1
Schistosoma mansoni	lamin	0.0059	0.2811	0.3193
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0412	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1243	0.1174
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0412	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0412	0.0336
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0028	0.1243	0.1335
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0412	0.0336
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0412	0.0383
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0412	0.0383
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0621	0.0546
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.1596	0.1529
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0412	0.0468
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0127	0.5
Schistosoma mansoni	intermediate filament proteins	0.0059	0.2811	0.3193
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0412	0.0383
Brugia malayi	hypothetical protein	0.0006	0.0114	0.0036
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0412	0.0336
Brugia malayi	steroid hormone receptor	0.0012	0.0412	0.0336
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0079	0.0089
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0412	0.0336
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0412	0.0383
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0412	0.0336
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0127	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0412	0.0336
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0412	0.0468
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0114	0.0041
Brugia malayi	nuclear receptor RXR	0.0006	0.0114	0.0036
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0621	0.0546
Echinococcus granulosus	GPCR family 2	0.0016	0.0621	0.0621
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0412	0.0383
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0412	0.0383
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0127	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.1397	0.1587
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0412	0.0383
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0412	0.0336
Schistosoma mansoni	coup transcription factor	0.0012	0.0412	0.0468
Brugia malayi	CXXC zinc finger family protein	0.003	0.131	0.1241
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0127	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0621	0.0705
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0621	0.0621
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Schistosoma mansoni	hypothetical protein	0.0174	0.8805	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0412	0.0336
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0412	0.0336
Trichomonas vaginalis	helicase, putative	0.0007	0.0127	0.5
Echinococcus granulosus	lamin dm0	0.0059	0.2811	0.3131
Brugia malayi	intermediate filament protein	0.0059	0.2811	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0051	0.2436	0.2376
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0412	0.0336
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0079	0.0089
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0412	0.0336
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.2678	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0114	0.013
Onchocerca volvulus		0.0059	0.2811	0.2754
Schistosoma mansoni	hypothetical protein	0.0035	0.1596	0.1812
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0114	0.0041
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0114	0.0036
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0412	0.0383
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0412	0.0336
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0412	0.0336
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0412	0.0468
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0412	0.0383
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0412	0.0468
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.2436	0.2376
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0412	0.0336
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0412	0.0336
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0412	0.0336
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0412	0.0383
Schistosoma mansoni	hypothetical protein	0.0016	0.0621	0.0705
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0412	0.0336
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0412	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0114	0.0036
Schistosoma mansoni	cpg binding protein	0.003	0.131	0.1488
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0412	0.0468
Echinococcus multilocularis	cpg binding protein	0.0031	0.1397	0.1511
Brugia malayi	Intermediate filament tail domain containing protein	0.0059	0.2811	0.2754
Echinococcus granulosus	geminin	0.0174	0.8805	1
Schistosoma mansoni	cpg binding protein	0.0031	0.1397	0.1587
Echinococcus multilocularis	lamin dm0	0.0059	0.2811	0.3131
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0114	0.0036
Echinococcus multilocularis	geminin	0.0174	0.8805	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0254	0.0201
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0412	0.0336
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0114	0.0036
Schistosoma mansoni	nuclear receptor nhr-48	0.0006	0.0079	0.0089
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0412	0.0336
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0161	0.0182
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0621	0.0621
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0412	0.0336
Brugia malayi	nuclear hormone receptor	0.0012	0.0412	0.0336
Schistosoma mansoni	zinc finger protein	0.0006	0.0079	0.0089
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0006	0.0079	0.0089
Schistosoma mansoni	lamin	0.0059	0.2811	0.3193
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0114	0.0036
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0006	0.0079	0.0089
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.131	0.1241
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0114	0.013
Echinococcus granulosus	cpg binding protein	0.0031	0.1397	0.1511
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0412	0.0383
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.2436	0.2376
Schistosoma mansoni	nuclear receptor	0.0006	0.0079	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0412	0.0336
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0412	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0412	0.0336
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0412	0.0336
Schistosoma mansoni	hypothetical protein	0.0016	0.0621	0.0705
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0412	0.0336
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0127	0.5
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0254	0.0177
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0161	0.0094
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0127	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0412	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0114	0.0036
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0412	0.0383
Echinococcus multilocularis	musashi	0.0059	0.2811	0.3131
Onchocerca volvulus		0.003	0.131	0.1241
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1596	0.1529
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0248	0.017
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0114	0.0036
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0412	0.0383
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0412	0.0468
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0031	0.1404	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0059	0.2811	0.2754
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0412	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0197	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0412	0.0468
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0412	0.0468
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0127	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0254	0.0201
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0412	0.0336
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0412	0.0383
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0621	0.0621

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 5.14	Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340
pEC50 (binding)		Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340

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: CHEMBL2286731

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 1808096