TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1281.48 | Formula: C56H108N6O26
H donors: 4 H acceptors: 4 LogP: -4.13 Rotable bonds: 76
Rule of 5 violations (Lipinski): 2
SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1nc(N)c(nc1N)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChi: 1S/C56H108N6O26/c1-65-7-9-69-15-17-73-23-25-77-31-33-81-39-41-85-47-49-87-45-43-83-37-35-79-29-27-75-21-19-71-13-11-67-5-3-59-55(63)51-53(57)62-52(54(58)61-51)56(64)60-4-6-68-12-14-72-20-22-76-28-30-80-36-38-84-44-46-88-50-48-86-42-40-82-34-32-78-26-24-74-18-16-70-10-8-66-2/h3-50H2,1-2H3,(H2,58,61)(H2,57,62)(H,59,63)(H,60,64)
InChiKey: DCEXABWAXCKYFT-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

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
Schistosoma mansoni	notch	0.0018	0.012	0.0035
Brugia malayi	Animal haem peroxidase family protein	0.0057	0.0747	0.0647
Brugia malayi	Calcium binding EGF domain containing protein	0.0018	0.012	0.0013
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0727	0.1962
Onchocerca volvulus		0.0057	0.0747	0.7309
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0075	0.1033	0.2573
Brugia malayi	EGF-like domain containing protein	0.0018	0.012	0.0013
Brugia malayi	hypothetical protein	0.0057	0.0747	0.0647
Plasmodium falciparum	plasmepsin VI	0.0075	0.1033	1
Loa Loa (eye worm)	animal heme peroxidase	0.0057	0.0747	0.0647
Onchocerca volvulus		0.0072	0.0983	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.0727	0.1692
Onchocerca volvulus		0.0018	0.012	0.0145
Loa Loa (eye worm)	animal heme peroxidase	0.0057	0.0747	0.0647
Schistosoma mansoni	notch	0.0018	0.012	0.0035
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0091	0.1301	0.3292
Brugia malayi	Calcium binding EGF domain containing protein	0.0018	0.012	0.0013
Schistosoma mansoni	hypothetical protein	0.0074	0.1024	0.2546
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Loa Loa (eye worm)	Poly(ADP-ribose) glycohydrolase	0.024	0.3706	0.3638
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0727	0.6816
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.0727	0.3549
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0138	0.2048	0.5377
Entamoeba histolytica	poly(ADP-ribose) glycohydrolase, putative	0.0107	0.1552	0.3373
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0727	0.6816
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0015	0.0071	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Echinococcus granulosus	mitogen activated protein kinase 14	0.0138	0.2048	0.5377
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.0727	0.1962
Plasmodium falciparum	plasmepsin I	0.0075	0.1033	1
Loa Loa (eye worm)	animal heme peroxidase	0.0057	0.0747	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0018	0.012	0.0013
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0065	0.0874	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.0727	0.1692
Schistosoma mansoni	hypothetical protein	0.0018	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Onchocerca volvulus	Neurogenic locus notch homolog	0.0018	0.012	0.0145
Onchocerca volvulus		0.0018	0.012	0.0145
Echinococcus granulosus	peroxidasin	0.0057	0.0747	0.1749
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0075	0.1033	0.2573
Brugia malayi	notch-like transmembrane receptor	0.0018	0.012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Echinococcus multilocularis	peroxidasin	0.0057	0.0747	0.1749
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0065	0.0874	1
Schistosoma mansoni	hypothetical protein	0.0018	0.012	0.0035
Loa Loa (eye worm)	notch protein	0.0018	0.012	0.0013
Schistosoma mansoni	laminin gamma-3 chain	0.0018	0.012	0.0035
Brugia malayi	Animal haem peroxidase family protein	0.0057	0.0747	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Schistosoma mansoni	hypothetical protein	0.0018	0.012	0.0035
Brugia malayi	EGF-like domain containing protein	0.0018	0.012	0.0013
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.0727	0.1692
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Brugia malayi	Animal haem peroxidase family protein	0.0057	0.0747	0.0647
Trypanosoma cruzi	poly(ADP-ribose) glycohydrolase, putative	0.024	0.3706	1
Onchocerca volvulus		0.0057	0.0747	0.7309
Loa Loa (eye worm)	animal heme peroxidase	0.0057	0.0747	0.0647
Loa Loa (eye worm)	Notch2	0.0018	0.012	0.0013
Onchocerca volvulus		0.0057	0.0747	0.7309
Onchocerca volvulus		0.0018	0.012	0.0145
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0138	0.2048	0.1962
Schistosoma mansoni	cathepsin D (A01 family)	0.0221	0.3396	0.9139
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Echinococcus multilocularis	jun protein	0.0091	0.1301	0.3292
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.0727	0.1692
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1033	0.0936
Brugia malayi	Peroxidasin	0.0057	0.0747	0.0647
Schistosoma mansoni	cell polarity protein	0.0018	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Schistosoma mansoni	cathepsin D (A01 family)	0.0221	0.3396	0.9139
Onchocerca volvulus		0.0018	0.012	0.0145
Schistosoma mansoni	hypothetical protein	0.0018	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.0727	0.0626
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Entamoeba histolytica	hypothetical protein	0.0107	0.1552	0.3373
Brugia malayi	EGF-like domain containing protein	0.0018	0.012	0.0013
Toxoplasma gondii	EGF family domain-containing protein	0.0018	0.012	0.0035
Brugia malayi	hypothetical protein	0.0072	0.0983	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Plasmodium vivax	plasmepsin IV, putative	0.0075	0.1033	1
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.0727	0.1721
Brugia malayi	Muscle positioning protein 4	0.0018	0.012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Schistosoma mansoni	septate junction protein	0.0018	0.012	0.0035
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0455	0.0933
Brugia malayi	EGF-like domain containing protein	0.0018	0.012	0.0013
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0727	0.6816
Onchocerca volvulus		0.0018	0.012	0.0145
Echinococcus multilocularis	poly(ADP ribose) glycohydrolase	0.024	0.3706	1
Schistosoma mansoni	slit	0.0018	0.012	0.0035
Brugia malayi	MAP kinase sur-1	0.0056	0.0727	0.0626
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0138	0.2048	0.5377
Schistosoma mansoni	notch	0.0018	0.012	0.0035
Brugia malayi	Poly	0.024	0.3706	0.3638
Toxoplasma gondii	poly(ADP-ribose) glycohydrolase	0.0107	0.1552	0.4013
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Onchocerca volvulus	Slit protein homolog	0.0018	0.012	0.0145
Loa Loa (eye worm)	blistered cuticle protein 3	0.0057	0.0747	0.0647
Plasmodium falciparum	plasmepsin II	0.0075	0.1033	1
Echinococcus granulosus	mitogen activated protein kinase 11	0.0138	0.2048	0.5377
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Brugia malayi	Calcium binding EGF domain containing protein	0.0018	0.012	0.0013
Schistosoma mansoni	notch	0.0018	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0455	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Brugia malayi	Animal haem peroxidase family protein	0.0057	0.0747	0.0647
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0138	0.2048	0.5527
Schistosoma mansoni	hypothetical protein	0.0018	0.012	0.0035
Brugia malayi	EGF-like domain containing protein	0.0018	0.012	0.0013
Brugia malayi	Cadherin domain containing protein	0.0018	0.012	0.0013
Schistosoma mansoni	jun-related protein	0.0074	0.1024	0.2546
Brugia malayi	EGF-like domain containing protein	0.0018	0.012	0.0013
Brugia malayi	P38 map kinase family protein 2	0.0138	0.2048	0.1962
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.0727	0.1962
Schistosoma mansoni	poly(ADP-ribose) glycohydrolase	0.024	0.3706	1
Onchocerca volvulus	Putative cubilin	0.0018	0.012	0.0145
Brugia malayi	hypothetical protein	0.0039	0.0455	0.0351
Giardia lamblia	Kinase, CMGC MAPK	0.0056	0.0727	1
Schistosoma mansoni	notch	0.0018	0.012	0.0035
Schistosoma mansoni	hypothetical protein	0.0018	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Entamoeba histolytica	hypothetical protein	0.024	0.3706	1
Echinococcus granulosus	polyADP ribose glycohydrolase	0.024	0.3706	1
Trypanosoma brucei	poly(ADP-ribose) glycohydrolase, putative	0.024	0.3706	1
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0075	0.1037	0.5
Loa Loa (eye worm)	hypothetical protein	0.0089	0.126	0.1165
Onchocerca volvulus	Chorion peroxidase homolog	0.0057	0.0747	0.7309
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0138	0.2048	1
Trypanosoma cruzi	poly(ADP-ribose) glycohydrolase, putative	0.024	0.3706	1
Onchocerca volvulus	Peroxidase homolog	0.0057	0.0747	0.7309
Echinococcus granulosus	jun protein	0.0091	0.1301	0.3292
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Brugia malayi	EGF-like domain containing protein	0.0018	0.012	0.0013
Schistosoma mansoni	peroxidasin	0.0057	0.0747	0.1778
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0727	0.1962
Schistosoma mansoni	hypothetical protein	0.0018	0.012	0.0035
Onchocerca volvulus	Dual oxidase homolog	0.0057	0.0747	0.7309
Entamoeba histolytica	poly(ADP-ribose) glycohydrolase, putative	0.024	0.3706	1
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0075	0.1033	0.2547
Toxoplasma gondii	aspartyl protease ASP1	0.0075	0.1033	0.2573
Schistosoma mansoni	notch	0.0018	0.012	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Onchocerca volvulus	Peroxidase homolog	0.0057	0.0747	0.7309
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0075	0.1033	0.0936
Onchocerca volvulus	Peroxidasin homolog	0.0057	0.0747	0.7309
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.0727	0.1721
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Brugia malayi	bZIP transcription factor family protein	0.0091	0.1301	0.1206
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0727	0.6816
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0091	0.1301	0.3292
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0455	0.0933
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.0727	0.3549
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0018	0.012	0.0145
Brugia malayi	Delta serrate ligand family protein	0.0018	0.012	0.0013
Schistosoma mansoni	hypothetical protein	0.0039	0.0455	0.0965
Onchocerca volvulus	Peroxidasin homolog	0.0057	0.0747	0.7309
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0065	0.0874	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Brugia malayi	Animal haem peroxidase family protein	0.0057	0.0747	0.0647
Brugia malayi	Blistered cuticle protein 3	0.0057	0.0747	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Brugia malayi	Cadherin domain containing protein	0.0018	0.012	0.0013
Toxoplasma gondii	poly(ADP-ribose) glycohydrolase	0.024	0.3706	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0138	0.2048	0.5377
Plasmodium falciparum	plasmepsin IV	0.0075	0.1033	1
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0138	0.2048	0.4435
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0075	0.1033	0.2547
Loa Loa (eye worm)	hypothetical protein	0.0629	1	1
Brugia malayi	GCC2 and GCC3 family protein	0.0018	0.012	0.0013
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0065	0.0874	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0138	0.2048	0.5377
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0018	0.012	0.0035
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0075	0.1033	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.012	0.0013
Plasmodium vivax	aspartyl proteinase, putative	0.0075	0.1033	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0138	0.2048	0.5527
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0747	0.0647
Schistosoma mansoni	peroxidasin	0.0057	0.0747	0.1778

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: CHEMBL2057260

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 1671200