TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 298.346 | Formula: C14H18N8
H donors: 2 H acceptors: 5 LogP: 2.08 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CNc1nc(nc(n1)n1ccnc1)NC1(C#N)CCCCC1
InChi: 1S/C14H18N8/c1-16-11-18-12(20-13(19-11)22-8-7-17-10-22)21-14(9-15)5-3-2-4-6-14/h7-8,10H,2-6H2,1H3,(H2,16,18,19,20,21)
InChiKey: DKLOYHUMKYCZKE-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 4A, cAMP-specific	Starlite/ChEMBL	References
Homo sapiens	phosphodiesterase 7A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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, isoform F, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	Get druggable targets OG5_133100	All targets in OG5_133100
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
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
Cryptosporidium hominis	hypothetical 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
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	Get druggable targets OG5_133100	All targets in OG5_133100
Echinococcus granulosus	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
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
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	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
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 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
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

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
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.6876	0.6367	1
Entamoeba histolytica	protein kinase 2, putative	0.6876	0.6367	0.6367
Entamoeba histolytica	protein kinase, putative	0.3545	0.3147	0.3147
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Onchocerca volvulus		0.0289	0	0.5
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.3545	0.3147	0.3147
Brugia malayi	p70 ribosomal S6 kinase beta	1.0345	0.972	0.972
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0366	0.0074	0.0074
Onchocerca volvulus	Putative zinc finger protein	0.0289	0	0.5
Echinococcus multilocularis	rac serine:threonine kinase	0.7166	0.6647	1
Schistosoma mansoni	serine/threonine protein kinase	0.3545	0.3147	0.4735
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Leishmania major	protein kinase, putative	0.0366	0.0074	1
Brugia malayi	Protein kinase domain containing protein	0.3545	0.3147	0.3147
Entamoeba histolytica	protein kinase, putative	1.0635	1	1
Echinococcus granulosus	nervana 2	0.68	0.6293	0.9468
Trichomonas vaginalis	AGC family protein kinase	0.3545	0.3147	0.3147
Schistosoma mansoni	serine/threonine kinase	0.3545	0.3147	0.4735
Schistosoma mansoni	serine/threonine-protein kinase	0.7166	0.6647	1
Trichomonas vaginalis	AGC family protein kinase	1.0635	1	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.3545	0.3147	0.4735
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.3545	0.3147	0.3147
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0366	0.0074	0.0111
Onchocerca volvulus	Putative neuronal RhoA GEF protein	0.0289	0	0.5
Loa Loa (eye worm)	AGC/AKT protein kinase	1.0635	1	1
Trichomonas vaginalis	AGC family protein kinase	0.3545	0.3147	0.3147
Entamoeba histolytica	protein kinase, putative	1.0345	0.972	0.972
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0366	0.0074	0.0111
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Echinococcus multilocularis	serine threonine protein kinase	0.3545	0.3147	0.4735
Onchocerca volvulus		0.0289	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.3545	0.3147	0.4735
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Echinococcus granulosus	protein kinase C gamma type	0.3545	0.3147	0.4735
Entamoeba histolytica	PH domain containing protein kinase, putative	0.7166	0.6647	0.6647
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Echinococcus granulosus	serine:threonine protein kinase N2	0.3545	0.3147	0.4735
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0366	0.0074	0.0074
Entamoeba histolytica	p21-activated kinase	0.0366	0.0074	0.0074
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0366	0.0074	0.0074
Schistosoma mansoni	serine/threonine protein kinase	0.3545	0.3147	0.4735
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0366	0.0074	0.0074
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0366	0.0074	0.0116
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0366	0.0074	0.0076
Echinococcus multilocularis	Glutaredoxin protein 5	0.68	0.6293	0.9468
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.3835	0.3427	0.3427
Trypanosoma brucei	protein kinase, putative	0.0366	0.0074	0.0074
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.3545	0.3147	0.4735
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.3545	0.3147	0.3147
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.3545	0.3147	0.4735
Onchocerca volvulus		0.0289	0	0.5
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0482	0.0186	0.028
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0366	0.0074	0.0074
Entamoeba histolytica	protein kinase, putative	0.0366	0.0074	0.0074
Echinococcus multilocularis	protein kinase c iota type	0.3545	0.3147	0.4735
Schistosoma mansoni	serine/threonine protein kinase	0.3545	0.3147	0.4735
Trypanosoma cruzi	NIMA-related kinase, putative	0.0366	0.0074	0.0111
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.3469	0.3073	0.3073
Echinococcus granulosus	protein kinase c epsilon type	0.3545	0.3147	0.4735
Schistosoma mansoni	atypical protein kinase C	0.3545	0.3147	0.4735
Echinococcus multilocularis	serine:threonine protein kinase N2	0.3545	0.3147	0.4735
Trichomonas vaginalis	AGC family protein kinase	1.0635	1	1
Trichomonas vaginalis	AGC family protein kinase	1.0635	1	1
Echinococcus granulosus	NDR protein kinase	0.3545	0.3147	0.4735
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0366	0.0074	0.0111
Loa Loa (eye worm)	hypothetical protein	0.3545	0.3147	0.3147
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0366	0.0074	0.0111
Entamoeba histolytica	protein kinase, putative	1.0635	1	1
Onchocerca volvulus		0.0289	0	0.5
Onchocerca volvulus		0.0289	0	0.5
Entamoeba histolytica	hypothetical protein	0.0366	0.0074	0.0074
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.6876	0.6367	0.9579
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0366	0.0074	0.0116
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.3545	0.3147	0.4735
Trichomonas vaginalis	AGC family protein kinase	1.0635	1	1
Trypanosoma cruzi	Protein kinase B	0.7166	0.6647	1
Echinococcus granulosus	Glutaredoxin protein 5	0.68	0.6293	0.9468
Echinococcus granulosus	protein kinase c iota type	0.3545	0.3147	0.4735
Echinococcus multilocularis	nervana 2	0.68	0.6293	0.9468
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0366	0.0074	0.0074
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	1.0345	0.972	0.972
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0366	0.0074	1
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.6876	0.6367	1
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Entamoeba histolytica	hypothetical protein	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Echinococcus multilocularis	protein kinase c epsilon type	0.3545	0.3147	0.4735
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0366	0.0074	0.0074
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.3545	0.3147	0.4735
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.3545	0.3147	0.3147
Echinococcus granulosus	Protein kinase C brain isozyme	0.3545	0.3147	0.4735
Entamoeba histolytica	PH domain containing protein kinase, putative	0.7166	0.6647	0.6647
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.3545	0.3147	0.4735
Schistosoma mansoni	serine/threonine protein kinase	0.3545	0.3147	0.4735
Onchocerca volvulus	Protein melted homolog	0.0289	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.3545	0.3147	0.3147
Trichomonas vaginalis	AGC family protein kinase	1.0635	1	1
Entamoeba histolytica	protein kinase, putative	0.0366	0.0074	0.0074
Toxoplasma gondii	protein kinase domain-containing protein	0.0366	0.0074	0.0076
Leishmania major	protein kinase, putative	0.0366	0.0074	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.3545	0.3147	0.4735
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0366	0.0074	0.0111
Echinococcus multilocularis	serine:threonine protein kinase 38	0.3545	0.3147	0.4735
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.6876	0.6367	0.9579
Trypanosoma brucei	rac serine-threonine kinase, putative	1.0635	1	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.7166	0.6647	1
Giardia lamblia	Kinase, AGC PKA	0.6876	0.6367	0.5
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0482	0.0186	0.028
Trichomonas vaginalis	AGC family protein kinase	1.0635	1	1
Brugia malayi	Hr1 repeat family protein	0.3545	0.3147	0.3147
Entamoeba histolytica	protein kinase, putative	0.0366	0.0074	0.0074
Loa Loa (eye worm)	AGC/NDR protein kinase	0.3545	0.3147	0.3147
Trichomonas vaginalis	AGC family protein kinase	0.3545	0.3147	0.3147
Onchocerca volvulus	outspread protein homolog	0.0289	0	0.5
Toxoplasma gondii	AGC kinase	1.0345	0.972	1
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0366	0.0074	0.0074
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0366	0.0074	0.0111
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0366	0.0074	0.0111
Echinococcus multilocularis	nervana 2	0.68	0.6293	0.9468
Onchocerca volvulus		0.0289	0	0.5
Echinococcus granulosus	serine/threonine protein kinase	0.7166	0.6647	1
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Leishmania major	folate/biopterin transporter, putative	0.0366	0.0074	1
Onchocerca volvulus		0.0289	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0366	0.0074	0.0074
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.6876	0.6367	0.9579
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.68	0.6293	0.9468
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0366	0.0074	0.0111
Loa Loa (eye worm)	AGC/PKN protein kinase	0.3545	0.3147	0.3147
Leishmania major	serine/threonine-protein kinase a, putative	0.0366	0.0074	1
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Schistosoma mansoni	serine/threonine-protein kinase	0.7166	0.6647	1
Echinococcus granulosus	nervana 2	0.68	0.6293	0.9468
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	1.0635	1	1
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0366	0.0074	0.0074
Echinococcus granulosus	serine threonine protein kinase nrc	0.6876	0.6367	0.9579
Schistosoma mansoni	serine/threonine protein kinase	0.3545	0.3147	0.4735
Trypanosoma cruzi	NIMA-related kinase, putative	0.0366	0.0074	0.0111
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.68	0.6293	0.9468
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Entamoeba histolytica	protein kinase, putative	0.0366	0.0074	0.0074
Onchocerca volvulus	Abnormal cell migration protein 10 homolog	0.0289	0	0.5
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0366	0.0074	1
Schistosoma mansoni	serine/threonine protein kinase	0.3545	0.3147	0.4735
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.3545	0.3147	0.4735
Brugia malayi	protein kinase C II.	0.3545	0.3147	0.3147
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074
Trichomonas vaginalis	AGC family protein kinase	0.0366	0.0074	0.0074

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.6 nM	Inhibition of human full length PDE4A4 expressed in baculovirus infected sf21 cells	ChEMBL.	23806553
IC50 (binding)	= 1050 nM	Inhibition of human full length PDE7A1 expressed in baculovirus infected sf21 cells	ChEMBL.	23806553
Inhibition (binding)		Inhibition of human ERG	ChEMBL.	23806553

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: CHEMBL2402527

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 1778609