TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 507.659 | Formula: C28H45NO7
H donors: 3 H acceptors: 5 LogP: 2.27 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)C(O)C(C1C2(C)[C@@H](O)CCC1(C)C)OC(=O)CN1CCCCCC1)O
InChi: 1S/C28H45NO7/c1-7-25(4)16-19(31)28(34)26(5)18(30)12-13-24(2,3)22(26)21(23(33)27(28,6)36-25)35-20(32)17-29-14-10-8-9-11-15-29/h7,18,21-23,30,33-34H,1,8-17H2,2-6H3/t18-,21?,22?,23?,25-,26?,27+,28-/m0/s1
InChiKey: WYMVQZKKULWCDD-ADFJSKILSA-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	lysosomal alpha glucosidase	0.0172	0.1654	0.1654
Trypanosoma brucei	glucosidase, putative	0.0038	0.0021	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0048	0.0142	0.0395
Entamoeba histolytica	hypothetical protein	0.0109	0.0888	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0038	0.0021	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0774	0.2038
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0172	0.1654	0.1654
Loa Loa (eye worm)	hypothetical protein	0.01	0.0774	0.2038
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0021	1
Brugia malayi	ecdysteroid receptor	0.0348	0.38	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0038	0.0021	0.0058
Mycobacterium leprae	conserved hypothetical protein	0.0036	0	0.5
Onchocerca volvulus		0.0047	0.0131	0.0343
Schistosoma mansoni	thyroid hormone receptor	0.0048	0.0142	0.0395
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0048	0.0142	0.0373
Schistosoma mansoni	alpha glucosidase	0.0038	0.0021	0.0058
Leishmania major	alpha glucosidase II subunit, putative	0.0038	0.0021	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0109	0.0888	0.2472
Schistosoma mansoni	hypothetical protein	0.0047	0.0131	0.0363
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0048	0.0142	0.0395
Schistosoma mansoni	transcription factor LCR-F1	0.0109	0.0888	0.2472
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0048	0.0142	0.0142
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0048	0.0142	0.0373
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0048	0.0142	0.0373
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0048	0.0142	0.0373
Echinococcus multilocularis	ecdysone induced protein 78C	0.0048	0.0142	0.0142
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0	0.5
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0038	0.0021	0.0055
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0038	0.0021	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0131	0.0343
Echinococcus granulosus	ecdysone induced protein 78C	0.0048	0.0142	0.0395
Entamoeba histolytica	hypothetical protein	0.0109	0.0888	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0021	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0021	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0021	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0038	0.0021	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0142	0.0373
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0048	0.0142	0.0373
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0048	0.0142	0.0395
Schistosoma mansoni	RAR-like nuclear receptor	0.0048	0.0142	0.0395
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0048	0.0142	0.0395
Schistosoma mansoni	hypothetical protein	0.0331	0.3591	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0774	0.2038
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0177	0.171	0.4761
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.2397	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0389	0.1023
Entamoeba histolytica	hypothetical protein	0.0109	0.0888	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0021	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0048	0.0142	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0142	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0142	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0348	0.38	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0038	0.0021	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0048	0.0142	0.0373
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0048	0.0142	0.0373
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0048	0.0142	0.0142
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.2376	0.6616
Brugia malayi	RNA, U transporter 1	0.0085	0.059	0.1552
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0048	0.0142	0.0373
Onchocerca volvulus	Protein ultraspiracle homolog	0.0048	0.0142	0.0373
Schistosoma mansoni	hypothetical protein	0.0331	0.3591	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0048	0.0142	0.0142
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0048	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2376	0.6252
Schistosoma mansoni	coup transcription factor	0.0048	0.0142	0.0395
Brugia malayi	photoreceptor-specific nuclear receptor	0.0048	0.0142	0.0373
Schistosoma mansoni	hypothetical protein	0.0109	0.0888	0.2472
Echinococcus granulosus	snurportin 1	0.0319	0.3439	0.9577
Echinococcus granulosus	lysosomal alpha glucosidase	0.0172	0.1654	0.4605
Schistosoma mansoni	alpha-glucosidase	0.0148	0.1361	0.3791
Entamoeba histolytica	hypothetical protein	0.0109	0.0888	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0048	0.0142	0.0395
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0048	0.0142	0.0373
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0048	0.0142	0.0373
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0048	0.0142	0.0373
Brugia malayi	Nuclear hormone receptor-like 1	0.0048	0.0142	0.0373
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0131	0.0363
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0048	0.0142	0.0373
Echinococcus granulosus	FTZ F1 alpha	0.0048	0.0142	0.0395
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0038	0.0021	0.0021
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0048	0.0142	0.0373
Echinococcus multilocularis	FTZ F1 alpha	0.0048	0.0142	0.0142
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0048	0.0142	0.0142
Brugia malayi	nuclear receptor NHR-88	0.0048	0.0142	0.0373
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0048	0.0142	0.0395
Brugia malayi	Steroid receptor seven-up type 2	0.0048	0.0142	0.0373
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0109	0.0888	0.0888
Onchocerca volvulus		0.01	0.0769	0.2023
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0038	0.0021	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0048	0.0142	0.0373
Echinococcus multilocularis	snurportin 1	0.0319	0.3439	0.3439
Schistosoma mansoni	hypothetical protein	0.0058	0.0268	0.0746
Echinococcus granulosus	geminin	0.0331	0.3591	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0048	0.0142	0.0373
Schistosoma mansoni	thyroid hormone receptor	0.0048	0.0142	0.0395
Schistosoma mansoni	hypothetical protein	0.0068	0.0389	0.1082
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0048	0.0142	0.0373
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0048	0.0142	0.0395
Brugia malayi	nuclear hormone receptor	0.0048	0.0142	0.0373
Schistosoma mansoni	nuclear hormone receptor	0.0048	0.0142	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0142	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0389	0.1023
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0048	0.0142	0.0373
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0048	0.0142	0.0373
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0319	0.3439	0.9049
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0021	1
Brugia malayi	hypothetical protein	0.0109	0.0888	0.2336
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0038	0.0021	0.0055
Onchocerca volvulus		0.0048	0.0142	0.0373
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0048	0.0142	0.0142
Schistosoma mansoni	alpha-glucosidase	0.0148	0.1361	0.3791
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0151	0.14	0.14
Brugia malayi	steroid hormone receptor	0.0048	0.0142	0.0373
Schistosoma mansoni	hypothetical protein	0.0319	0.3439	0.9577
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0774	0.2038
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0142	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0142	0.0373
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.2376	0.2376
Mycobacterium ulcerans	beta-lactamase	0.0036	0	0.5
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0172	0.1654	0.4351
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0021	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0048	0.0142	0.0395
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0048	0.0142	0.0395
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0048	0.0142	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0142	0.0373
Onchocerca volvulus	Bile acid receptor homolog	0.0348	0.38	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0048	0.0142	0.0373
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0172	0.1654	0.4351
Echinococcus multilocularis	geminin	0.0331	0.3591	0.3591
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0048	0.0142	0.0395
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0048	0.0142	0.0373
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0048	0.0142	0.0395
Schistosoma mansoni	retinoic acid receptor RXR	0.0177	0.171	0.4761
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0048	0.0142	0.0395
Brugia malayi	hypothetical protein	0.0231	0.2376	0.6252
Mycobacterium ulcerans	lipase LipD	0.0036	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0048	0.0142	0.0142
Loa Loa (eye worm)	steroid hormone receptor	0.0048	0.0142	0.0373
Mycobacterium ulcerans	hypothetical protein	0.0036	0	0.5

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: CHEMBL1192551

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 1151500