TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.372 | Formula: C19H18N4O2
H donors: 3 H acceptors: 4 LogP: 0.8 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NCc1c(Nc2ccc(cc2)C(=O)O)nc(nc1C)c1ccccc1
InChi: 1S/C19H18N4O2/c1-12-16(11-20)18(22-15-9-7-14(8-10-15)19(24)25)23-17(21-12)13-5-3-2-4-6-13/h2-10H,11,20H2,1H3,(H,24,25)(H,21,22,23)
InChiKey: BGVCDEJJULPIJA-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
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 4D, putative	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
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	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
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative	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
Cryptosporidium hominis	hypothetical protein	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
Cryptosporidium parvum	membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein	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
Echinococcus multilocularis	cAMP specific 3',5' 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
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
Schistosoma mansoni	camp-specific 35-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
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	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
Entamoeba histolytica	Flap nuclease, putative	0.0019	0.111	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0014	0.0685	0.0685
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0098	0.7732	0.7732
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0125	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.8865	0.8865
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0014	0.0685	0.0685
Brugia malayi	Flap endonuclease-1	0.0019	0.111	0.111
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0098	0.7732	0.7732
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0014	0.0685	0.0685
Loa Loa (eye worm)	PDE1B protein	0.0014	0.0685	0.0685
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0014	0.0685	0.0685
Schistosoma mansoni	flap endonuclease-1	0.0017	0.096	0.096
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0685	0.617
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0112	0.8865	0.8865
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0685	0.0685
Echinococcus granulosus	tar DNA binding protein	0.0103	0.8158	0.8158
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0685	0.617
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Loa Loa (eye worm)	RNA binding protein	0.0103	0.8158	0.8158
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0125	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0014	0.0685	0.0685
Schistosoma mansoni	tar DNA-binding protein	0.0103	0.8158	0.8158
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0014	0.0685	0.0685
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0103	0.8158	0.8158
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0014	0.0685	0.0685
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.8865	0.8865
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus granulosus	flap endonuclease 1	0.0019	0.111	0.111
Schistosoma mansoni	tar DNA-binding protein	0.0103	0.8158	0.8158
Brugia malayi	TAR-binding protein	0.0103	0.8158	0.8158
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	0.8865	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.8865	0.8865
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0014	0.0685	0.0685
Giardia lamblia	Flap structure-specific endonuclease	0.0019	0.111	0.052
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0014	0.0685	0.0685
Onchocerca volvulus		0.0005	0	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Onchocerca volvulus		0.0005	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0103	0.8158	0.8158
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0014	0.0685	0.0685
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0125	1	1
Onchocerca volvulus		0.0005	0	0.5
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0014	0.0685	0.0685
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0125	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0112	0.8865	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0014	0.0685	0.617
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0014	0.0685	0.0685
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0019	0.111	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0014	0.0685	0.0685
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Brugia malayi	RNA recognition motif domain containing protein	0.0103	0.8158	0.8158
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0014	0.0685	0.0685
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0014	0.0685	0.0685
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0014	0.0685	0.0685
Schistosoma mansoni	tar DNA-binding protein	0.0103	0.8158	0.8158
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0014	0.0685	0.0685
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0014	0.0685	0.617
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0014	0.0685	0.0685
Loa Loa (eye worm)	flap endonuclease-1	0.0019	0.111	0.111
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.8865	0.8865
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0014	0.0685	0.0685
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0014	0.0685	0.0685
Plasmodium falciparum	flap endonuclease 1	0.0019	0.111	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0125	1	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0685	0.0685
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0125	1	1
Trichomonas vaginalis	flap endonuclease-1, putative	0.0019	0.111	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0014	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0685	0.0685
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0098	0.7732	0.7732
Loa Loa (eye worm)	TAR-binding protein	0.0103	0.8158	0.8158
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0098	0.7732	0.7732
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0014	0.0685	0.0685
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0685	0.617
Brugia malayi	RNA binding protein	0.0103	0.8158	0.8158
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0014	0.0685	0.0685
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0125	1	1
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0019	0.111	1
Echinococcus multilocularis	tar DNA binding protein	0.0103	0.8158	0.8158
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0014	0.0685	0.617
Schistosoma mansoni	tar DNA-binding protein	0.0103	0.8158	0.8158
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0014	0.0685	0.0685
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0014	0.0685	0.0685
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0014	0.0685	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0112	0.8865	0.8865
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Echinococcus multilocularis	flap endonuclease 1	0.0019	0.111	0.111
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0014	0.0685	0.0685
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0019	0.111	0.052
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0019	0.111	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0014	0.0685	0.617
Plasmodium vivax	flap endonuclease 1, putative	0.0019	0.111	1
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0014	0.0685	0.0685
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0125	1	1
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0014	0.0685	0.0685

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substrates	ChEMBL.	19447034
IC50 (binding)	> 1000 nM	Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates	ChEMBL.	19447034

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: CHEMBL1784115

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 1520147