TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.558 | Formula: C23H38N2O5
H donors: 0 H acceptors: 1 LogP: 2.45 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)N1CCN(CC1)CC
InChi: 1S/C23H38N2O5/c1-6-24-11-13-25(14-12-24)21(26)29-17-9-10-23(15-28-23)20(19(17)27-5)22(4)18(30-22)8-7-16(2)3/h7,17-20H,6,8-15H2,1-5H3/t17-,18-,19-,20-,22+,23+/m1/s1
InChiKey: UAKLZGLEJPPDRM-HUCDYXQFSA-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
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0024	0.0675	0.0675
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0024	0.0675	0.0938
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0024	0.0675	0.0938
Schistosoma mansoni	RAR-like nuclear receptor	0.0024	0.0675	0.0782
Echinococcus multilocularis	FTZ F1 alpha	0.0024	0.0675	0.0675
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0024	0.0675	0.0782
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0013	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0675	0.0938
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0026	0.0775	0.1078
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0024	0.0675	0.0782
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0675	0.0675
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.1689	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0675	0.0938
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0024	0.0675	0.0675
Brugia malayi	hypothetical protein	0.0013	0.0072	0.01
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.1498	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0675	0.0938
Entamoeba histolytica	hypothetical protein	0.0037	0.1332	0.77
Schistosoma mansoni	hypothetical protein	0.0174	0.8508	0.9867
Echinococcus multilocularis	ankyrin repeat protein	0.0158	0.7639	0.7639
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0024	0.0675	0.0938
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.1332	0.1545
Echinococcus granulosus	ecdysone induced protein 78C	0.0024	0.0675	0.0675
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.1332	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0675	0.0938
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0024	0.0675	0.0675
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0024	0.0675	0.0675
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0024	0.0675	0.0675
Brugia malayi	hypothetical protein	0.0037	0.1332	0.1852
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.2662	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0013	0.0072	0.0084
Echinococcus granulosus	transient receptor potential cation channel	0.0161	0.7807	0.7807
Echinococcus granulosus	FTZ F1 alpha	0.0024	0.0675	0.0675
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0675	0.0938
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.1332	0.1332
Schistosoma mansoni	kinesin eg-5	0.0026	0.0775	0.0899
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.2662	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.2662	0.2662
Echinococcus granulosus	ankyrin repeat protein	0.0158	0.7639	0.7639
Brugia malayi	ecdysteroid receptor	0.0024	0.0675	0.0938
Brugia malayi	nuclear hormone receptor	0.0024	0.0675	0.0938
Onchocerca volvulus	Bile acid receptor homolog	0.0024	0.0675	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.1689	0.1689
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0072	0.01
Schistosoma mansoni	thyroid hormone receptor	0.0154	0.7443	0.8632
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0024	0.0675	0.0782
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0024	0.0675	0.0938
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0024	0.0675	0.0938
Schistosoma mansoni	hypothetical protein	0.013	0.6166	0.7151
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0024	0.0675	0.0782
Entamoeba histolytica	hypothetical protein	0.0037	0.1332	0.77
Schistosoma mansoni	hypothetical protein	0.0177	0.8623	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0675	0.0938
Echinococcus multilocularis	transient receptor potential cation channel	0.0161	0.782	0.782
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.013	0.6166	0.6166
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0675	0.0938
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0675	0.0938
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0024	0.0675	0.0675
Brugia malayi	acetyltransferase, GNAT family protein	0.0149	0.719	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0024	0.0675	0.0675
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0149	0.719	0.719
Loa Loa (eye worm)	steroid hormone receptor	0.0024	0.0675	0.0938
Entamoeba histolytica	hypothetical protein	0.0037	0.1332	0.77
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.013	0.6166	0.6166
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.1498	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.2662	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0013	0.0072	0.0084
Schistosoma mansoni	coup transcription factor	0.0024	0.0675	0.0782
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0024	0.0675	0.0675
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.1689	0.5
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0145	0.6972	0.6972
Brugia malayi	steroid hormone receptor	0.0024	0.0675	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0072	0.01
Echinococcus multilocularis	kinesin family 1	0.0203	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0675	0.0938
Brugia malayi	nuclear receptor RXR	0.0013	0.0072	0.01
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0675	0.0938
Schistosoma mansoni	hypothetical protein	0.0037	0.1332	0.1545
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0024	0.0675	0.0782
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.1689	0.4844
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0024	0.0675	0.0938
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.2662	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0024	0.0675	0.0782
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0024	0.0675	0.0938
Brugia malayi	photoreceptor-specific nuclear receptor	0.0024	0.0675	0.0938
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0024	0.0675	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0024	0.0675	0.0938
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0024	0.0675	0.0938
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0013	0.0072	0.0072
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0013	0.0072	0.01
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0072	0.01
Brugia malayi	Nuclear hormone receptor-like 1	0.0024	0.0675	0.0938
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0675	0.0675
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0024	0.0675	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0072	0.01
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0072	0.01
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.2662	0.2662
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0675	0.0938
Onchocerca volvulus	Protein ultraspiracle homolog	0.0024	0.0675	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0675	0.0675
Brugia malayi	Nuclear hormone receptor-like 1	0.0013	0.0072	0.01
Brugia malayi	nuclear receptor NHR-88	0.0024	0.0675	0.0938
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0024	0.0675	0.0782
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0024	0.0675	0.0938
Entamoeba histolytica	hypothetical protein	0.0037	0.1332	0.77
Schistosoma mansoni	thyroid hormone receptor	0.0154	0.7443	0.8632
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.1689	0.4844
Brugia malayi	hypothetical protein	0.0013	0.0072	0.01
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.1689	0.5
Echinococcus multilocularis	geminin	0.0174	0.8508	0.8508
Loa Loa (eye worm)	acetyltransferase	0.0149	0.719	1
Echinococcus granulosus	geminin	0.0174	0.8508	0.8508
Brugia malayi	Nuclear hormone receptor-like 1	0.0013	0.0072	0.01
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0675	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0675	0.0938
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0024	0.0675	0.0938
Schistosoma mansoni	retinoic acid receptor RXR	0.0024	0.0675	0.0782
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0024	0.0675	0.0675
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0149	0.719	0.8339
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.1498	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0675	0.0938
Brugia malayi	Kinesin motor domain containing protein	0.0026	0.0775	0.1078
Onchocerca volvulus		0.0024	0.0675	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0024	0.0675	0.0675
Schistosoma mansoni	hypothetical protein	0.0174	0.8508	0.9867
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0154	0.7443	0.7443
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0158	0.7639	0.886
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.2662	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0024	0.0675	0.0938
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0024	0.0675	0.0782
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.2662	0.3087
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.2662	0.3087
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.2662	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0024	0.0675	0.0938
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0675	0.0675
Brugia malayi	Steroid receptor seven-up type 2	0.0024	0.0675	0.0938

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 75 %	Percent stability of the compound determined after 20 hr in HUVEC culture medium; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 75 %	Percent stability of the compound determined after 20 hr in HUVEC culture medium; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 76 %	Percent stability of the compound determined after 20 hr in HUVEC lysate; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 76 %	Percent stability of the compound determined after 20 hr in HUVEC lysate; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 91 %	Percent stability of the compound determined after 4 hr in HUVEC lysate; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 91 %	Percent stability of the compound determined after 4 hr in HUVEC lysate; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 95 %	Percent stability of the compound determined after 4 hr in HUVEC culture medium; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 95 %	Percent stability of the compound determined after 4 hr in HUVEC culture medium; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 100 %	Percent stability of the compound determined after 0 hr in HUVEC culture medium; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 100 %	Percent stability of the compound determined after 0 hr in HUVEC lysate; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 100 %	Percent stability of the compound determined after 0 hr in HUVEC culture medium; Expressed as % of the compound remaining	ChEMBL.	14684305
Activity (functional)	= 100 %	Percent stability of the compound determined after 0 hr in HUVEC lysate; Expressed as % of the compound remaining	ChEMBL.	14684305

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

No external resources registered for this compound

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 303102