TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 395.432 | Formula: C20H17N3O4S
H donors: 2 H acceptors: 6 LogP: 1.98 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cc1cccc(c1)Nc1nc(nc2c1CS(=O)(=O)C2)c1ccccc1
InChi: 1S/C20H17N3O4S/c24-18(25)10-13-5-4-8-15(9-13)21-20-16-11-28(26,27)12-17(16)22-19(23-20)14-6-2-1-3-7-14/h1-9H,10-12H2,(H,24,25)(H,21,22,23)
InChiKey: KBGQHSSMWQBTKL-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
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	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
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	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
Loa Loa (eye worm)	hypothetical 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
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
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, 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 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
Cryptosporidium hominis	hypothetical protein	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
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	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
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4C, 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 granulosus	cAMP specific 3'5' cyclic phosphodiesterase	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

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	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.0547	0.0612
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	0.0547	0.5
Echinococcus granulosus	neuroglian	0.0317	0.88	0.9843
Brugia malayi	Fibronectin type III domain containing protein	0.032	0.8941	0.8941
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0317	0.88	0.9843
Loa Loa (eye worm)	hypothetical protein	0.0317	0.88	0.88
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0346	1	1
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0112	0.0547	0.5
Loa Loa (eye worm)	hypothetical protein	0.032	0.8941	0.8941
Loa Loa (eye worm)	hypothetical protein	0.0317	0.88	0.88
Echinococcus granulosus	defective proboscis extension response	0.0317	0.88	0.9843
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.0547	0.0612
Brugia malayi	Immunoglobulin I-set domain containing protein	0.032	0.8941	0.8941
Echinococcus granulosus	twitchin	0.0317	0.88	0.9843
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0547	0.0547
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.0547	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0317	0.88	0.88
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.0547	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0317	0.88	0.88
Echinococcus multilocularis	neuroglian	0.0317	0.88	0.9843
Schistosoma mansoni	nephrin	0.032	0.8941	1
Loa Loa (eye worm)	hypothetical protein	0.032	0.8941	0.8941
Echinococcus granulosus	roundabout 2	0.032	0.8941	1
Echinococcus multilocularis	Immunoglobulin	0.0317	0.88	0.9843
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0317	0.88	0.9843
Brugia malayi	hypothetical protein	0.032	0.8941	0.8941
Loa Loa (eye worm)	hypothetical protein	0.0317	0.88	0.88
Loa Loa (eye worm)	hypothetical protein	0.032	0.8941	0.8941
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0317	0.88	0.9833
Loa Loa (eye worm)	hypothetical protein	0.0317	0.88	0.88
Echinococcus multilocularis	Immunoglobulin	0.0317	0.88	0.9843
Schistosoma mansoni	cell adhesion molecule	0.032	0.8941	1
Schistosoma mansoni	vesicular amine transporter	0.0317	0.88	0.9833
Echinococcus granulosus	Immunoglobulin	0.0317	0.88	0.9843
Echinococcus multilocularis	roundabout 2	0.032	0.8941	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0317	0.88	0.9833

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2500 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: CHEMBL2385564

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 1778347