TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 408.474 | Formula: C21H20N4O3S
H donors: 2 H acceptors: 5 LogP: 2.22 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)Cc1ccc(cc1)Nc1nc(nc2c1S(=O)(=O)CCC2)c1ccccc1
InChi: 1S/C21H20N4O3S/c22-18(26)13-14-8-10-16(11-9-14)23-21-19-17(7-4-12-29(19,27)28)24-20(25-21)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H2,22,26)(H,23,24,25)
InChiKey: JOQWKVDUCXMMFE-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphodiesterase 4B, cAMP-specific	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium parvum	membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing	Get druggable targets OG5_128242	All targets in OG5_128242
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	Get druggable targets OG5_128242	All targets in OG5_128242
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Neospora caninum	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative	Get druggable targets OG5_128242	All targets in OG5_128242

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	tyrosine kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0112	1	1
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.003	0	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.003	0	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	1	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.003	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0051	0.2602	1
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase shark	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0051	0.2602	0.3123
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0051	0.2602	0.2602
Leishmania major	protein kinase, putative	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Brugia malayi	hypothetical protein	0.0051	0.2602	0.3123
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0051	0.2602	0.2602
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0098	0.833	0.833
Plasmodium vivax	tyrosine kinase-like protein, putative	0.003	0	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	1	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0051	0.2602	0.2602
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trypanosoma brucei	Flagellum attachment zone protein 20	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0051	0.2602	0.3123
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Onchocerca volvulus		0.0051	0.2602	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0051	0.2602	0.2602
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.003	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	protein kinase atn1, putative	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0051	0.2602	0.2602
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Onchocerca volvulus		0.0051	0.2602	1
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0051	0.2602	0.2602
Trichomonas vaginalis	protein tyrosine kinase, putative	0.003	0	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0051	0.2602	0.2602
Schistosoma mansoni	tyrosine kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0098	0.833	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0051	0.2602	0.2602
Plasmodium falciparum	protein kinase, putative	0.003	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	tyrosine kinase	0.0051	0.2602	0.2602
Plasmodium vivax	tyrosine kinase-like protein, putative	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	c src tyrosine kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TK family protein kinase	0.003	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.003	0	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0098	0.833	0.833
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0051	0.2602	0.2602
Plasmodium falciparum	protein kinase, putative	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0051	0.2602	0.2602
Brugia malayi	Tyrosine-protein kinase abl-1	0.0051	0.2602	0.3123
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Brugia malayi	protein-tyrosine kinase	0.0051	0.2602	0.3123
Brugia malayi	Protein kinase domain containing protein	0.0051	0.2602	0.3123
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.0051	0.2602	0.2602
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	1	1
Brugia malayi	SRC-1	0.0051	0.2602	0.3123
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.003	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.2602	0.2602
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0051	0.2602	0.2602
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0051	0.2602	0.2602
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0112	1	1
Plasmodium falciparum	tyrosine kinase-like protein	0.003	0	0.5
Brugia malayi	SH2 domain containing protein	0.0051	0.2602	0.3123
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0051	0.2602	0.2602
Schistosoma mansoni	tyrosine kinase	0.0051	0.2602	0.2602
Echinococcus granulosus	tyrosine protein kinase shark	0.0051	0.2602	0.2602
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Brugia malayi	Protein kinase domain containing protein	0.0051	0.2602	0.3123
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Onchocerca volvulus		0.0051	0.2602	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.003	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0051	0.2602	0.2602
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0051	0.2602	0.2602
Trichomonas vaginalis	STE family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Onchocerca volvulus		0.0051	0.2602	1
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0098	0.833	0.833
Trichomonas vaginalis	conserved hypothetical protein	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.003	0	0.5
Echinococcus granulosus	tyrosine protein kinase Srms	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.003	0	0.5
Brugia malayi	SH2 domain containing protein	0.0051	0.2602	0.3123
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Loa Loa (eye worm)	TK protein kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Onchocerca volvulus		0.0051	0.2602	1
Plasmodium vivax	protein kinase, putative	0.003	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0051	0.2602	0.3123
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Plasmodium falciparum	protein kinase, putative	0.003	0	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0051	0.2602	0.2602
Loa Loa (eye worm)	SRC-1	0.0051	0.2602	0.2602
Schistosoma mansoni	tyrosine kinase	0.0051	0.2602	0.2602
Loa Loa (eye worm)	TK/FER protein kinase	0.0051	0.2602	0.2602
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	1	1
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.2602	0.2602
Loa Loa (eye worm)	hypothetical protein	0.0112	1	1
Schistosoma mansoni	tyrosine kinase	0.0051	0.2602	0.2602
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0051	0.2602	0.2602
Onchocerca volvulus		0.0051	0.2602	1
Echinococcus granulosus	tyrosine kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0051	0.2602	0.2602
Leishmania major	protein kinase, putative	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trypanosoma brucei	Pseudokinase, putative	0.003	0	0.5
Leishmania major	hypothetical protein, conserved	0.003	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Echinococcus multilocularis	c src tyrosine kinase	0.0051	0.2602	0.2602
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.003	0	0.5
Trypanosoma brucei	protein kinase, putative	0.003	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.003	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16 nM	Inhibition of human recombinant PDE4B (152 to 564 amino acids) using cAMP as substrate after 30 mins by plate reader analysis	ChEMBL.	23602400

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: CHEMBL2385753

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1779804