TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 480.51 | Formula: C26H28N2O7
H donors: 1 H acceptors: 3 LogP: 2.42 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)[C@H]1[C@H]2COc3c([C@@H]2N2[C@@]1(C)C(=O)Nc1c(C2=O)cc(c(c1)OC)OC)cc(cc3)C
InChi: 1S/C26H28N2O7/c1-6-34-24(30)21-16-12-35-18-8-7-13(2)9-15(18)22(16)28-23(29)14-10-19(32-4)20(33-5)11-17(14)27-25(31)26(21,28)3/h7-11,16,21-22H,6,12H2,1-5H3,(H,27,31)/t16-,21-,22+,26-/m1/s1
InChiKey: VAUJZKRDONHLMP-MSLJSYDBSA-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
Homo sapiens	glucagon-like peptide 1 receptor	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
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	nuclear receptor NHR-67	0.0019	0.0022	0.0024
Loa Loa (eye worm)	steroid hormone receptor	0.0041	0.3499	0.3932
Echinococcus granulosus	thyroid hormone receptor alpha	0.0019	0.0022	0.0024
Echinococcus granulosus	voltage gated potassium channel	0.0021	0.0388	0.0436
Echinococcus multilocularis	ecdysone induced protein 78C	0.0041	0.3499	0.3932
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0041	0.3499	0.3932
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0021	0.0394	0.0443
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.6662	0.7486
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.3578	0.4021
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0041	0.3499	0.3932
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0041	0.3499	0.3932
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0041	0.3499	0.3932
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0041	0.3499	0.3932
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0041	0.3499	0.3932
Brugia malayi	orphan nuclear receptor NR2E1	0.0019	0.0022	0.0024
Schistosoma mansoni	thyroid hormone receptor	0.0041	0.3499	0.3499
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0394	0.0443
Brugia malayi	nuclear hormone receptor	0.0041	0.3499	0.3932
Echinococcus granulosus	nuclear receptor nhr 48	0.0019	0.0022	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0394	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3499	0.3932
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0019	0.0022	0.0024
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0019	0.0022	0.0024
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0041	0.3499	0.3932
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0041	0.3499	0.3499
Brugia malayi	nuclear hormone receptor	0.0019	0.0022	0.0024
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.1996	0.2242
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3578	0.4021
Brugia malayi	hypothetical protein	0.0019	0.0022	0.0024
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0041	0.3499	0.3499
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.8111	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0041	0.3499	0.3499
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.3499	0.3932
Schistosoma mansoni	nuclear receptor	0.0019	0.0022	0.0022
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.3499	0.3932
Loa Loa (eye worm)	CYP4Cod1	0.0031	0.1996	0.2242
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0019	0.0022	0.0024
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0074	0.8899	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0041	0.3499	0.3932
Trypanosoma cruzi	cytochrome P450, putative	0.0031	0.1996	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0041	0.3499	0.3932
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0019	0.0022	0.0024
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0041	0.3499	0.3932
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0041	0.3499	0.3932
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0019	0.0022	0.0024
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0041	0.3499	0.3932
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0019	0.0022	0.0022
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0394	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0019	0.0022	0.0024
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0021	0.0394	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0041	0.3499	0.3932
Brugia malayi	conserved hypotetical protein	0.0019	0.0022	0.0024
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0394	0.0394
Onchocerca volvulus		0.0041	0.3499	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Loa Loa (eye worm)	cytochrome P450 family protein	0.0033	0.2208	0.2481
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0394	0.0443
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0064	0.7317	0.8222
Brugia malayi	Cytochrome P450 family protein	0.0031	0.1996	0.2242
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0041	0.3499	0.3932
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0019	0.0022	0.0024
Schistosoma mansoni	zinc finger protein	0.0019	0.0022	0.0022
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0019	0.0022	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Trypanosoma cruzi	cytochrome P450, putative	0.0031	0.1996	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0041	0.3499	0.3932
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0041	0.3499	0.3499
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3499	0.3932
Trypanosoma brucei	cytochrome P450, putative	0.0031	0.1996	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3499	0.3932
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0041	0.3499	0.3932
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0074	0.8899	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.6662	0.7486
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0031	0.1996	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Brugia malayi	tailless protein	0.0019	0.0022	0.0024
Schistosoma mansoni	RAR-like nuclear receptor	0.0041	0.3499	0.3499
Schistosoma mansoni	hypothetical protein	0.0041	0.3578	0.3578
Loa Loa (eye worm)	nuclear hormone receptor	0.0019	0.0022	0.0024
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0019	0.0022	0.0024
Echinococcus multilocularis	FTZ F1 alpha	0.0041	0.3499	0.3932
Brugia malayi	Nuclear hormone receptor E75	0.0019	0.0022	0.0024
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0074	0.8899	1
Brugia malayi	hypothetical protein	0.0019	0.0022	0.0024
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0041	0.3499	0.3932
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0041	0.3499	0.3932
Brugia malayi	nuclear receptor RXR	0.0021	0.0394	0.0443
Leishmania major	cytochrome p450-like protein	0.0031	0.1996	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3499	0.3932
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0041	0.3499	0.3932
Loa Loa (eye worm)	DR-78	0.0019	0.0022	0.0024
Schistosoma mansoni	retinoic acid receptor RXR	0.0041	0.3499	0.3499
Schistosoma mansoni	nuclear hormone receptor	0.0019	0.0022	0.0022
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.6662	0.7486
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0041	0.3499	0.3499
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.3499	0.3932
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0074	0.8899	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0394	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Schistosoma mansoni	nuclear receptor	0.0019	0.0022	0.0022
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0021	0.0388	0.0436
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0019	0.0022	0.0024
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0041	0.3499	0.3932
Brugia malayi	nuclear receptor RXR	0.0019	0.0022	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3499	0.3932
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0041	0.3499	0.3932
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0041	0.3499	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0021	0.0388	0.0436
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.1996	0.2242
Brugia malayi	Cytochrome P450 family protein	0.0031	0.1996	0.2242
Echinococcus granulosus	FTZ F1 alpha	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Brugia malayi	Nuclear hormone receptor E75	0.0019	0.0022	0.0024
Brugia malayi	Nuclear hormone receptor-like 1	0.0041	0.3499	0.3932
Echinococcus multilocularis	voltage gated potassium channel	0.0021	0.0388	0.0436
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Loa Loa (eye worm)	hypothetical protein	0.006	0.6662	0.7486
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3499	0.3932
Schistosoma mansoni	nuclear receptor nhr-48	0.0019	0.0022	0.0022
Schistosoma mansoni	nuclear hormone receptor	0.0041	0.3499	0.3499
Brugia malayi	Steroid receptor seven-up type 2	0.0041	0.3499	0.3932
Echinococcus multilocularis	nuclear receptor nhr 48	0.0019	0.0022	0.0024
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.8111	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0041	0.3499	1
Brugia malayi	nuclear receptor NHR-88	0.0041	0.3499	0.3932
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0041	0.3499	0.3932
Brugia malayi	photoreceptor-specific nuclear receptor	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3499	0.3932
Schistosoma mansoni	nuclear hormone receptor	0.0019	0.0022	0.0022
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0019	0.0022	0.0024
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0388	0.0388
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0021	0.0394	0.0443
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0041	0.3499	0.3499
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0388	0.0436
Brugia malayi	nuclear receptor NHR-88	0.0019	0.0022	0.0024
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0041	0.3499	0.3499
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0041	0.3499	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Schistosoma mansoni	voltage-gated potassium channel	0.0081	1	1
Brugia malayi	hypothetical protein	0.0021	0.0394	0.0443
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0041	0.3499	0.3932
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0394	0.0443
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0021	0.0388	0.0436
Schistosoma mansoni	coup transcription factor	0.0041	0.3499	0.3499
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0041	0.3499	0.3932
Brugia malayi	nuclear hormone receptor family member odr-7	0.0019	0.0022	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0019	0.0022	0.0022
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0388	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0394	0.0443
Brugia malayi	ecdysteroid receptor	0.0041	0.3499	0.3932
Brugia malayi	steroid hormone receptor	0.0041	0.3499	0.3932
Onchocerca volvulus	Protein ultraspiracle homolog	0.0041	0.3499	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0019	0.0022	0.0024
Brugia malayi	ecdysone receptor	0.0019	0.0022	0.0024
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0019	0.0022	0.0024
Brugia malayi	hypothetical protein	0.0021	0.0394	0.0443
Schistosoma mansoni	thyroid hormone receptor	0.0041	0.3499	0.3499
Brugia malayi	Cytochrome P450 family protein	0.0033	0.2208	0.2481
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0041	0.3499	0.3932
Echinococcus granulosus	ecdysone induced protein 78C	0.0041	0.3499	0.3932
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0021	0.0394	0.0443

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1878250

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 1550517