TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.409 | Formula: C15H20N4O4S
H donors: 1 H acceptors: 4 LogP: 0.8 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1ccc(nn1)OCCNS(=O)(=O)N(C)C
InChi: 1S/C15H20N4O4S/c1-19(2)24(20,21)16-10-11-23-15-9-8-14(17-18-15)12-4-6-13(22-3)7-5-12/h4-9,16H,10-11H2,1-3H3
InChiKey: IPWRNFZEFQLLCE-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
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0023	0.0215	0.0314
Schistosoma mansoni	tyrosine kinase	0.0155	0.1708	0.1708
Loa Loa (eye worm)	hypothetical protein	0.0193	0.213	0.2883
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0023	0.0215	0.0314
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0193	0.213	0.3106
Brugia malayi	dihydrofolate reductase family protein	0.0174	0.1919	0.2565
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0023	0.0215	0.0314
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0067	0.0703	0.1025
Echinococcus granulosus	epidermal growth factor receptor	0.0155	0.1708	0.2491
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.0479	0.5375	0.7837
Schistosoma mansoni	tyrosine kinase	0.0154	0.169	0.169
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0023	0.0215	0.0314
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0193	0.213	0.3106
Schistosoma mansoni	tyrosine kinase	0.0092	0.0996	0.0996
Brugia malayi	serine/threonine-protein kinase plk-2	0.0611	0.6859	1
Echinococcus multilocularis		0.009	0.0963	0.1404
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0611	0.6859	1
Leishmania major	hypothetical protein, conserved	0.0023	0.0215	0.0314
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0023	0.0215	0.3063
Chlamydia trachomatis	dihydrofolate reductase	0.0174	0.1919	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0215	0.0314
Echinococcus multilocularis	epidermal growth factor receptor	0.0155	0.1708	0.2491
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Echinococcus granulosus	insulin receptor	0.0092	0.0996	0.1452
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0023	0.0215	0.0314
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0023	0.0215	0.0314
Brugia malayi	Protein kinase domain containing protein	0.0092	0.0996	0.1175
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0193	0.213	0.3106
Loa Loa (eye worm)	dihydrofolate reductase	0.0174	0.1919	0.2565
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0023	0.0215	0.0314
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0023	0.0215	0.0314
Trichomonas vaginalis	CAMK family protein kinase	0.0611	0.6859	1
Trichomonas vaginalis	CAMK family protein kinase	0.0202	0.2234	0.3038
Giardia lamblia	Kinase, PLK	0.0611	0.6859	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0611	0.6859	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Trypanosoma brucei	polo-like protein kinase	0.0611	0.6859	1
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0174	0.1919	0.5
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0023	0.0215	0.0314
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0023	0.0215	0.0215
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0023	0.0215	0.0314
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0611	0.6859	1
Leishmania major	hypothetical protein, conserved	0.0023	0.0215	0.0314
Trypanosoma cruzi	polo-like protein kinase, putative	0.0611	0.6859	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Trichomonas vaginalis	CAMK family protein kinase	0.0611	0.6859	1
Schistosoma mansoni	serine/threonine protein kinase	0.0611	0.6859	0.6859
Trichomonas vaginalis	CAMK family protein kinase	0.0611	0.6859	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0023	0.0215	0.0215
Echinococcus multilocularis	epidermal growth factor receptor	0.0289	0.3223	0.4699
Trichomonas vaginalis	CAMK family protein kinase	0.0611	0.6859	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0215	0.0314
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0174	0.1919	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0215	0.0314
Loa Loa (eye worm)	TKL/LRRK protein kinase	0.0062	0.0651	0.0656
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0193	0.213	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0023	0.0215	0.0314
Echinococcus granulosus	epidermal growth factor receptor	0.0289	0.3223	0.4699
Brugia malayi	Furin-like cysteine rich region family protein	0.0289	0.3223	0.4527
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0023	0.0215	0.0215
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0023	0.0215	0.0314
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0169	0.1865	0.2719
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0193	0.213	0.3106
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0023	0.0215	0.0314
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0611	0.6859	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0023	0.0215	0.0314
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0023	0.0215	0.0314
Schistosoma mansoni	tyrosine kinase	0.0154	0.169	0.169
Echinococcus multilocularis	insulin receptor	0.0092	0.0996	0.1452
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0023	0.0215	0.0215
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0023	0.0215	0.3063
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0193	0.213	0.213
Schistosoma mansoni	tyrosine kinase	0.0092	0.0996	0.0996
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0023	0.0215	0.0314
Schistosoma mansoni	tyrosine kinase	0.0289	0.3223	0.3223
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0023	0.0215	0.0215
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0092	0.0996	0.1452
Brugia malayi	Dihydrofolate reductase	0.0174	0.1919	0.2565
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.0479	0.5375	0.7837
Trichomonas vaginalis	CAMK family protein kinase	0.0611	0.6859	1
Plasmodium falciparum	phosphodiesterase delta, putative	0.0023	0.0215	0.3063
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0289	0.3223	0.4527
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0215	0.0314
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0023	0.0215	0.0314
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0092	0.0996	0.1452
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0023	0.0215	0.0314
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0023	0.0215	0.0215
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0067	0.0703	0.1025
Trichomonas vaginalis	CAMK family protein kinase	0.0611	0.6859	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0023	0.0215	0.0314
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0067	0.0703	1
Echinococcus multilocularis	dihydrofolate reductase	0.0174	0.1919	0.2798
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0023	0.0215	0.0215
Trichomonas vaginalis	CAMK family protein kinase	0.0202	0.2234	0.3038
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Echinococcus granulosus	dihydrofolate reductase	0.0174	0.1919	0.2798
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0023	0.0215	0.3063
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0023	0.0215	0.0314
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0169	0.1865	0.2719
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0155	0.1708	0.2491
Trichomonas vaginalis	CAMK family protein kinase	0.0611	0.6859	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0023	0.0215	0.0314
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0023	0.0215	0.0314
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0215	0.0314
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0023	0.0215	0.0314
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0215	0.0314
Echinococcus granulosus	leucine rich repeat serine:threonine protein	0.0062	0.0656	0.0956
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0023	0.0215	0.0215
Schistosoma mansoni	tyrosine kinase	0.0155	0.1708	0.1708
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0023	0.0215	0.0314
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0611	0.6859	1
Echinococcus multilocularis	leucine rich repeat serine:threonine protein	0.0062	0.0651	0.095
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0067	0.0703	1
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0023	0.0215	0.3063
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0023	0.0215	0.3063
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0193	0.213	0.2883
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Loa Loa (eye worm)	TK/INSR protein kinase	0.0092	0.0996	0.1175
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0023	0.0215	0.0314
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0067	0.0703	0.33
Schistosoma mansoni	tyrosine kinase	0.0154	0.169	0.169
Brugia malayi	Protein kinase domain containing protein	0.0062	0.0651	0.0656
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0174	0.1919	0.5
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0611	0.6859	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Trypanosoma cruzi	hypothetical protein, conserved	0.0023	0.0215	0.0314
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0023	0.0215	0.0314
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0067	0.0703	0.1025
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0023	0.0215	0.0314
Schistosoma mansoni	dihydrofolate reductase	0.0174	0.1919	0.1919
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0023	0.0215	0.0215
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0169	0.1865	0.2483
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0023	0.0215	0.1011
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0023	0.0215	0.0314
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0611	0.6859	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0169	0.1865	0.2483
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0023	0.0215	0.0215

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 686660