TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 440.493 | Formula: C20H29N2O5PS
H donors: 1 H acceptors: 3 LogP: 4.38 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)/C(=C(\NC(P(=O)(OC(C)C)OC(C)C)c1ccccc1)/SC)/C#N
InChi: 1S/C20H29N2O5PS/c1-7-25-20(23)17(13-21)19(29-6)22-18(16-11-9-8-10-12-16)28(24,26-14(2)3)27-15(4)5/h8-12,14-15,18,22H,7H2,1-6H3/b19-17+
InChiKey: XGVHTPMERNGCBM-HTXNQAPBSA-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	hypothetical protein	0.0012	0.0043	0.0043
Echinococcus multilocularis	ectonucleotide	0.0064	0.2997	0.2997
Onchocerca volvulus		0.0076	0.3674	0.424
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Loa Loa (eye worm)	type I phosphodiesterase/nucleotide pyrophosphatase	0.0012	0.0043	0.005
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0012	0.0043	0.0043
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	0.6858	0.7913
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.005
Onchocerca volvulus	Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog	0.0012	0.0043	0.005
Loa Loa (eye worm)	hypothetical protein	0.003	0.1066	0.123
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0022	0.0593	0.5
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0064	0.2997	0.2997
Trypanosoma brucei	endonuclease G, putative	0.0045	0.1954	0.6021
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0012	0.0043	0.005
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0022	0.0593	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0068	0.3217	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0068	0.3217	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0012	0.0043	0.0043
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0076	0.3674	0.3674
Loa Loa (eye worm)	hypothetical protein	0.0076	0.3674	0.424
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	0.6858	0.7913
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.003	0.1066	0.123
Onchocerca volvulus	GPI ethanolamine phosphate transferase 3 homolog	0.0012	0.0043	0.005
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0022	0.0593	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Onchocerca volvulus	GPI ethanolamine phosphate transferase 2 homolog	0.0012	0.0043	0.005
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 3	0.0012	0.0043	0.0043
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0068	0.3217	0.3217
Echinococcus multilocularis	transferase	0.0012	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0012	0.0043	0.0043
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.003	0.1066	0.123
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0076	0.3674	0.3674
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0045	0.1954	0.6331
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0046	0.199	0.0283
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.2743	0.8196
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.005
Mycobacterium leprae	conserved hypothetical protein	0.0022	0.0593	1
Schistosoma mansoni	hypothetical protein	0.0186	1	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0068	0.3217	1
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0045	0.1954	0.6021
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Entamoeba histolytica	phosphatidylinositol-glycan biosynthesis class O protein, putative	0.0012	0.0043	0.5
Schistosoma mansoni	hypothetical protein	0.0163	0.8667	0.8667
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.3217	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.003	0.1066	0.1804
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0163	0.8667	1
Trypanosoma brucei	endonuclease G, putative	0.0045	0.1954	0.6021
Mycobacterium ulcerans	putative regulatory protein	0.0022	0.0593	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.005
Onchocerca volvulus	Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog	0.0012	0.0043	0.005
Brugia malayi	hypothetical protein	0.0012	0.0043	0.005
Entamoeba histolytica	phosphatidylinositol-glycan biosynthesis class O protein, putative	0.0012	0.0043	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0068	0.3217	1
Giardia lamblia	Phosphatidylinositol-glycan biosynthesis, class O protein	0.0012	0.0043	0.5
Schistosoma mansoni	hypothetical protein	0.0012	0.0043	0.0043
Brugia malayi	AEL166Cp	0.0012	0.0043	0.005
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0068	0.3217	1
Schistosoma mansoni	endonuclease related	0.0045	0.1954	0.1954
Echinococcus multilocularis	Endonuclease G	0.0045	0.1954	0.1954
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0068	0.3217	0.3217
Echinococcus multilocularis	Alkaline phosphatase, core domain	0.0012	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.005
Trypanosoma brucei	endonuclease G, putative	0.0045	0.1954	0.6021
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Brugia malayi	MH2 domain containing protein	0.0131	0.6858	0.7913
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0076	0.3674	0.3674
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Schistosoma mansoni	hypothetical protein	0.0186	1	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Onchocerca volvulus	GPI ethanolamine phosphate transferase 1 homolog	0.0012	0.0043	0.005
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0593	0.0684
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.003	0.1066	0.1066
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Echinococcus multilocularis	geminin	0.0186	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.003	0.1066	0.1066
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Brugia malayi	hypothetical protein	0.0012	0.0043	0.005
Brugia malayi	endonuclease G, mitochondrial precursor	0.0045	0.1954	0.2255
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.003	0.1066	0.1804
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.2743	0.8196
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.003	0.1066	0.1804
Echinococcus granulosus	ectonucleotide	0.0064	0.2997	0.2997
Loa Loa (eye worm)	hypothetical protein	0.0076	0.3674	0.424
Plasmodium falciparum	GAF domain-related protein, putative	0.0022	0.0593	1
Plasmodium vivax	hypothetical protein, conserved	0.0022	0.0593	0.5
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Leishmania major	endonuclease G, putative	0.0045	0.1954	0.6021
Onchocerca volvulus		0.0076	0.3674	0.424
Toxoplasma gondii	hypothetical protein	0.0059	0.2743	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0043	0.0043
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0046	0.199	0.5325
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0076	0.3674	0.3674
Echinococcus granulosus	gpi ethanolamine phosphate transferase 3	0.0012	0.0043	0.0043
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0068	0.3217	0.3217
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0163	0.8667	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0064	0.2997	0.2997
Echinococcus granulosus	transferase	0.0012	0.0043	0.0043
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 1	0.0012	0.0043	0.0043
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Onchocerca volvulus		0.0163	0.8667	1
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.003	0.1066	0.1066
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.2743	0.8196
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0012	0.0043	0.0043
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0076	0.3674	0.424
Loa Loa (eye worm)	hypothetical protein	0.0064	0.2997	0.3458
Mycobacterium ulcerans	putative regulatory protein	0.0022	0.0593	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0046	0.199	0.5325
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0076	0.3674	0.3674
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Echinococcus granulosus	Endonuclease G	0.0045	0.1954	0.1954
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0012	0.0043	0.0043
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0068	0.3217	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.3674	0.424

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: CHEMBL2228220

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 1809187