TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 590.96 | Formula: C38H70O4
H donors: 2 H acceptors: 3 LogP: 14.8 Rotable bonds: 34
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/C=C/C=C/CCC(=O)OC(CO)CO
InChi: 1S/C38H70O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38(41)42-37(35-39)36-40/h27-32,37,39-40H,2-26,33-36H2,1H3/b28-27+,30-29+,32-31+
InChiKey: NBIVQUOHXGFYQM-YFGNAISGSA-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	CMGC family protein kinase	0.038	0.7337	1
Entamoeba histolytica	protein kinase, putative	0.0091	0.0402	0.0485
Echinococcus multilocularis	dual specificity	0.0091	0.0402	0.0154
Echinococcus granulosus	dual specificity	0.038	0.7337	0.7335
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.038	0.7337	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0312	0.0312
Echinococcus granulosus	mitogen activated protein kinase 15	0.0088	0.0343	0.0093
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0488	0.991	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0488	0.991	1
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0088	0.0343	0.0093
Onchocerca volvulus	Putative endochitinase	0.0085	0.0267	0.2052
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0088	0.0343	0.0299
Echinococcus multilocularis	dual specificity	0.038	0.7337	0.7335
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0088	0.0343	0.0093
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0091	0.0402	0.0085
Schistosoma mansoni	serine/threonine protein kinase	0.038	0.7337	0.7335
Schistosoma mansoni	hypothetical protein	0.012	0.1113	0.0891
Entamoeba histolytica	protein kinase, putative	0.038	0.7337	1
Trichomonas vaginalis	CMGC family protein kinase	0.038	0.7337	1
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0088	0.0343	0.0404
Plasmodium falciparum	conserved protein, unknown function	0.012	0.1113	1
Trichomonas vaginalis	CMGC family protein kinase	0.038	0.7337	1
Onchocerca volvulus		0.012	0.1113	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0488	0.991	1
Onchocerca volvulus	Putative endochitinase	0.0085	0.0267	0.2052
Brugia malayi	endochitinase	0.0085	0.0267	0.0222
Echinococcus granulosus	dual specificity	0.038	0.7337	0.7335
Loa Loa (eye worm)	haspin protein kinase	0.0488	0.991	0.991
Echinococcus multilocularis	dual specificity	0.038	0.7337	0.7335
Onchocerca volvulus	Putative endochitinase	0.0085	0.0267	0.2052
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0088	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.012	0.1113	0.1113
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.038	0.7337	0.7391
Brugia malayi	GSG2	0.0488	0.991	1
Loa Loa (eye worm)	cuticular endochitinase	0.0076	0.0048	0.0048
Schistosoma mansoni	serine/threonine protein kinase	0.0091	0.0402	0.0154
Giardia lamblia	Kinase, CMGC DYRK	0.038	0.7337	1
Schistosoma mansoni	hypothetical protein	0.0488	0.991	1
Entamoeba histolytica	protein kinase domain containing protein	0.0088	0.0343	0.0404
Schistosoma mansoni	serine/threonine protein kinase	0.0088	0.0343	0.0093
Onchocerca volvulus		0.012	0.1113	1
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0088	0.0343	0.0093
Brugia malayi	Protein kinase domain containing protein	0.0088	0.0343	0.0299
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0488	0.991	1
Trichomonas vaginalis	CMGC family protein kinase	0.038	0.7337	1
Brugia malayi	Endochitinase	0.0085	0.0267	0.0222
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.038	0.7337	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0488	0.991	1
Echinococcus granulosus	dual specificity	0.0091	0.0402	0.0154
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0091	0.0402	0.0485
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.038	0.7337	0.7337
Entamoeba histolytica	protein kinase, putative	0.0091	0.0402	0.0485
Loa Loa (eye worm)	haspin protein kinase	0.0488	0.991	0.991
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.038	0.7337	1
Echinococcus multilocularis	cyclin dependent kinase 9	0.0088	0.0343	0.0093
Entamoeba histolytica	protein kinase domain containing protein	0.0091	0.0402	0.0485
Loa Loa (eye worm)	chitinase I	0.0076	0.0048	0.0048
Entamoeba histolytica	hypothetical protein	0.0084	0.0253	0.0281
Echinococcus granulosus	cyclin dependent kinase 9	0.0088	0.0343	0.0093
Loa Loa (eye worm)	hypothetical protein	0.012	0.1113	0.1113
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0091	0.0402	0.0085
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0091	0.0402	0.0085
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0088	0.0343	0.0093
Entamoeba histolytica	cell division protein kinase 2, putative	0.0088	0.0343	0.0404
Entamoeba histolytica	hypothetical protein	0.0091	0.0402	0.0485
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.012	0.1113	0.0891
Entamoeba histolytica	protein kinase domain containing protein	0.038	0.7337	1
Plasmodium vivax	hypothetical protein, conserved	0.012	0.1113	1
Leishmania major	serine/threonine kinase-like protein, putative	0.0088	0.0343	0.0404
Schistosoma mansoni	protein kinase	0.0088	0.0343	0.0093
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.012	0.1113	0.0891
Echinococcus granulosus	dual specificity	0.038	0.7337	0.7335
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0312	0.0312
Brugia malayi	hypothetical protein	0.0488	0.991	1
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.012	0.1113	0.108
Brugia malayi	Protein kinase domain containing protein	0.0091	0.0402	0.0359
Schistosoma mansoni	serine/threonine kinase	0.0088	0.0343	0.0093
Brugia malayi	Cell division protein kinase 2	0.0088	0.0343	0.0299
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.038	0.7337	1
Trichomonas vaginalis	CMGC family protein kinase	0.038	0.7337	1
Echinococcus multilocularis	dual specificity	0.038	0.7337	0.7335
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0088	0.0343	0.0343
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0091	0.0402	0.0402
Trichomonas vaginalis	CMGC family protein kinase	0.038	0.7337	1

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: CHEMBL2289717

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 1804260