TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 567.842 | Formula: C36H57NO4
H donors: 1 H acceptors: 3 LogP: 8.16 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CC(NC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC(=O)[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@H]([C@]3(C)CCC(=O)OC(C)C)C(=C)C)C)C
InChi: 1S/C36H57NO4/c1-22(2)25-12-15-36(11)30(34(25,9)14-13-29(39)41-24(5)6)28(38)20-26-27-21-33(8,31(40)37-23(3)4)17-16-32(27,7)18-19-35(26,36)10/h20,23-25,27,30H,1,12-19,21H2,2-11H3,(H,37,40)/t25-,27-,30+,32+,33-,34-,35+,36+/m0/s1
InChiKey: IBYGZFVQQZLXHV-UACNGADVSA-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
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.1497	0.0605
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.2244	0.2244
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0587	0.0442
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0587	0.0587
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.1497	0.0605
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0949	0.081
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.1497	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0587	0.0587
Loa Loa (eye worm)	hypothetical protein	0.003	0.1431	0.1431
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0587	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0587	0.0587
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.4621	0.4621
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0114	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0587	0.0587
Brugia malayi	6-phosphofructokinase	0.0114	1	1
Brugia malayi	beta-NAC-like protein	0.0034	0.1811	0.1811
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0587	0.0442
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0114	1	0.5
Leishmania major	basic transcription factor 3a, putative	0.0034	0.1811	0.0952
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0152	0.0152
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0587	0.0587
Entamoeba histolytica	hypothetical protein	0.0034	0.1811	0.0952
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4621	0.4538
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0031	0.1497	0.0605
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0114	1	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.4046	0.4046
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0587	0.0587
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0587	0.0442
Brugia malayi	RNA binding protein	0.0062	0.4621	0.4621
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.1811	0.0952
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0587	0.0442
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.1431	0.1431
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0587	0.0442
Loa Loa (eye worm)	ICD-1 protein	0.0034	0.1811	0.1811
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0587	0.0587
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0587	0.0587
Mycobacterium ulcerans	6-phosphofructokinase	0.0114	1	0.5
Trypanosoma cruzi	transcription factor btf3, putative	0.0034	0.1811	0.0952
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0949	0.0949
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.1497	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0587	0.0442
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.4621	0.4621
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0587	0.0587
Brugia malayi	Flap endonuclease-1	0.0026	0.0949	0.0949
Loa Loa (eye worm)	phosphofructokinase	0.0114	1	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0034	0.1811	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0114	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0587	0.0587
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0587	0.0442
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0587	0.0442
Echinococcus multilocularis	6 phosphofructokinase	0.0114	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.4046	0.4046
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0587	0.0587
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0587	0.0442
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0587	0.0442
Trypanosoma cruzi	transcription factor btf3, putative	0.0034	0.1811	0.0952
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0587	0.0587
Echinococcus granulosus	intermediate filament protein	0.003	0.1431	0.1299
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.1497	0.0605
Leishmania major	ATP-dependent phosphofructokinase	0.0114	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.1431	0.1431
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0587	0.0442
Echinococcus multilocularis	musashi	0.003	0.1431	0.1299
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0587	0.0442
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4621	0.4538
Schistosoma mansoni	lamin	0.003	0.1431	0.1299
Toxoplasma gondii	phosphofructokinase PFKII	0.0031	0.1497	0.6353
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0587	0.0587
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.1497	0.0605
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0031	0.1497	0.0605
Loa Loa (eye worm)	6-phosphofructokinase	0.0114	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0587	0.0587
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0587	0.0587
Entamoeba histolytica	phosphofructokinase, putative	0.0114	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0587	0.0587
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0587	0.0442
Brugia malayi	6-phosphofructokinase	0.0114	1	1
Echinococcus granulosus	6 phosphofructokinase	0.0114	1	1
Brugia malayi	steroid hormone receptor	0.0022	0.0587	0.0587
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4621	0.4538
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	1	1
Schistosoma mansoni	6-phosphofructokinase	0.0114	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0587	0.0442
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0587	0.0587
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.1497	0.5
Echinococcus granulosus	transcription factor btf3	0.0034	0.1811	0.1685
Schistosoma mansoni	hypothetical protein	0.0038	0.2244	0.2124
Echinococcus granulosus	lamin dm0	0.003	0.1431	0.1299
Trypanosoma brucei	transcription factor BTF3, putative	0.0034	0.1811	0.0952
Schistosoma mansoni	6-phosphofructokinase	0.0114	1	1
Plasmodium falciparum	basic transcription factor 3b, putative	0.0034	0.1811	1
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0587	0.0587
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0152	0.0152
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0587	0.0587
Schistosoma mansoni	flap endonuclease-1	0.0023	0.07	0.0556
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.1497	0.6353
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4621	0.4538
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	1	1
Echinococcus granulosus	lamin	0.003	0.1431	0.1299
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0587	0.0587
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0587	0.0442
Schistosoma mansoni	lamin	0.003	0.1431	0.1299
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0587	0.0442
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0587	0.0442
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.4621	0.4538
Loa Loa (eye worm)	intermediate filament protein	0.003	0.1431	0.1431
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0587	0.0587
Echinococcus multilocularis	transcription factor btf3	0.0034	0.1811	0.1685
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0587	0.0587
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0152	0.0152
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0587	0.0587
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0587	0.0587
Entamoeba histolytica	phosphofructokinase, putative	0.0114	1	1
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0114	1	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.4621	0.4538
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0031	0.1497	0.6353
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.4046	0.4046
Onchocerca volvulus		0.003	0.1431	1
Brugia malayi	TAR-binding protein	0.0062	0.4621	0.4621
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0587	0.0442
Brugia malayi	intermediate filament protein	0.003	0.1431	0.1431
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0587	0.0587
Schistosoma mansoni	coup transcription factor	0.0022	0.0587	0.0442
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0587	0.0587
Echinococcus multilocularis	lamin dm0	0.003	0.1431	0.1299
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0587	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0152	0.0152
Echinococcus granulosus	tar DNA binding protein	0.0062	0.4621	0.4538
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0587	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0038	0.2244	0.2244
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0587	0.0587
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0031	0.1497	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0587	0.0442
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0587	0.0587
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.4621	0.4621
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0587	0.0587
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.1497	0.6353
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0587	0.0442
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0587	0.0442
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.1497	0.6353
Loa Loa (eye worm)	hypothetical protein	0.003	0.1375	0.1375
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0949	0.081
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.1811	0.0952
Entamoeba histolytica	phosphofructokinase, putative	0.0114	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.1497	0.0605
Schistosoma mansoni	intermediate filament proteins	0.003	0.1431	0.1299
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.1811	0.0952
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0587	0.0587
Brugia malayi	nuclear hormone receptor	0.0022	0.0587	0.0587
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.1497	0.6353
Entamoeba histolytica	transcription factor BTF3, putative	0.0034	0.1811	0.0952
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0587	0.0442
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0587	0.0442
Loa Loa (eye worm)	RNA binding protein	0.0062	0.4621	0.4621
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0587	0.0442
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0114	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0587	0.0442
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0587	0.0442
Echinococcus multilocularis	lamin	0.003	0.1431	0.1299
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.4046	0.4046
Toxoplasma gondii	NAC domain-containing protein	0.0034	0.1811	1
Brugia malayi	ecdysteroid receptor	0.0022	0.0587	0.0587
Onchocerca volvulus		0.003	0.1431	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0587	0.0587
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0587	0.0587
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0587	0.0442
Toxoplasma gondii	6-phosphofructokinase	0.0031	0.1497	0.6353
Schistosoma mansoni	transcription factor btf3	0.0034	0.1811	0.1685
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0587	0.0442

Activities

No activities found for this compound.

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: CHEMBL1807178

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 1025132