TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 323.306 | Formula: C16H13N5O3
H donors: 1 H acceptors: 5 LogP: 2.11 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1oc2c(c1)c(cnc2OC)C(=O)Nc1ncncc1C#N
InChi: 1S/C16H13N5O3/c1-3-10-4-11-12(7-19-16(23-2)13(11)24-10)15(22)21-14-9(5-17)6-18-8-20-14/h4,6-8H,3H2,1-2H3,(H,18,20,21,22)
InChiKey: CMQJWHDXTPYSNM-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
Rattus norvegicus	Phosphodiesterase 4	Starlite/ChEMBL	References
Homo sapiens	phosphodiesterase 4D, cAMP-specific	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, 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
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	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
Loa Loa (eye worm)	hypothetical protein	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
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
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 granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium hominis	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
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
Cryptosporidium parvum	membrane associated HD superfamily 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	IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	Phosphodiesterase 4	536 aa	456 aa	27.2 %
Onchocerca volvulus	SH3 domain-binding glutamic acid-rich protein homolog	Phosphodiesterase 4	536 aa	527 aa	52.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0027	0.0688	0.0688
Plasmodium falciparum	phosphodiesterase delta, putative	0.0027	0.0688	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.0688	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0223	0.7735	0.7735
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0223	0.7735	0.7735
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0027	0.0688	0.5
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0027	0.0688	0.0688
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0027	0.0688	0.0688
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.0688	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0027	0.0688	0.0688
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0223	0.7735	0.7735
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0027	0.0688	0.0688
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus multilocularis	alpha 1,6 mannosyl glycoprotein	0.0286	1	1
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0027	0.0688	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0688	0.0688
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Leishmania major	hypothetical protein, conserved	0.0027	0.0688	0.5
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0027	0.0688	0.0688
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0027	0.0688	0.5
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0027	0.0688	0.0688
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0027	0.0688	0.0688
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0027	0.0688	0.0688
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.0688	0.5
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0027	0.0688	0.0688
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0027	0.0688	0.0688
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0196	0.6758	0.6758
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0027	0.0688	0.0688
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Leishmania major	hypothetical protein, conserved	0.0027	0.0688	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0196	0.6758	0.6758
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0688	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0688	0.0688
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0223	0.7735	0.7735
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0027	0.0688	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0253	0.8793	0.8793
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0027	0.0688	0.5
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0688	0.5
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Plasmodium vivax	phosphodiesterase gamma, putative	0.0027	0.0688	0.5
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0027	0.0688	0.0688
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0027	0.0688	0.5
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0027	0.0688	0.0688
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0223	0.7735	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0688	0.5
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0027	0.0688	0.0688
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0027	0.0688	0.0688
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0027	0.0688	0.0688
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Schistosoma mansoni	beta-12-n-acetylglucosaminyltransferase II	0.0286	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0688	0.0688
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0027	0.0688	0.0688
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0027	0.0688	0.0688
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0027	0.0688	0.0688
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0223	0.7735	0.7735
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0027	0.0688	0.5
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0027	0.0688	0.0688
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0253	0.8793	0.8793
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus granulosus	alpha 16 mannosyl glycoprotein	0.0286	1	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0027	0.0688	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0223	0.7735	0.7735
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0027	0.0688	0.0688
Brugia malayi	MH2 domain containing protein	0.0118	0.3946	0.3946
Trypanosoma brucei	hypothetical protein, conserved	0.0027	0.0688	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0027	0.0688	0.0688
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0027	0.0688	0.0688
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0027	0.0688	0.0688
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0027	0.0688	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.3946	0.3946
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0027	0.0688	0.5
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0027	0.0688	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0196	0.6758	0.6758
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0027	0.0688	0.0688
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.0688	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0027	0.0688	0.0688
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.3946	0.3946
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0027	0.0688	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0027	0.0688	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.0688	0.5
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0027	0.0688	0.0688
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0223	0.7735	1
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0196	0.6758	0.6758
Loa Loa (eye worm)	PDE1B protein	0.0027	0.0688	0.0688
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0027	0.0688	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0027	0.0688	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.14 uM	Inhibition of human phosphodiesterase 4 from U937 cells	ChEMBL.	11814830
IC50 (binding)	= 0.14 uM	Inhibition of human phosphodiesterase 4 from U937 cells	ChEMBL.	11814830
IC50 (binding)	= 0.27 uM	Inhibition of rolipram binding to rat brain	ChEMBL.	11814830
IC50 (binding)	= 0.27 uM	Inhibition of rolipram binding to rat brain	ChEMBL.	11814830
Inhibition (binding)	0 %	Inhibition of human platelet Phosphodiesterase 3 at 1 uM (inactive)	ChEMBL.	11814830
Ratio (binding)	= 0.49	Relative inhibition of rolipram binding and PDE4 activity	ChEMBL.	11814830

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 257855