TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.505 | Formula: C24H28N4O2
H donors: 1 H acceptors: 3 LogP: 2.9 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(n1)CNC(=O)C1CCCN(C1)Cc1nc(oc1C)c1ccccc1
InChi: 1S/C24H28N4O2/c1-17-8-6-12-21(26-17)14-25-23(29)20-11-7-13-28(15-20)16-22-18(2)30-24(27-22)19-9-4-3-5-10-19/h3-6,8-10,12,20H,7,11,13-16H2,1-2H3,(H,25,29)
InChiKey: WZGVFBPGGTVOPK-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 8A	Starlite/ChEMBL	References
Homo sapiens	phosphodiesterase 8B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	Get druggable targets OG5_130653	All targets in OG5_130653
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_130653	All targets in OG5_130653
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	Get druggable targets OG5_130653	All targets in OG5_130653
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	Get druggable targets OG5_130653	All targets in OG5_130653
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130653	All targets in OG5_130653
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130653	All targets in OG5_130653
Schistosoma japonicum	ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative	Get druggable targets OG5_130653	All targets in OG5_130653
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_130653	All targets in OG5_130653
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130653	All targets in OG5_130653
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130653	All targets in OG5_130653

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 granulosus	defective proboscis extension response	0.0021	0.0093	0.1071
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0018	0	0.5
Brugia malayi	plexin A	0.0046	0.0865	0.0865
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0025	0.0224	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0025	0.0224	1
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0021	0.0093	0.1071
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0018	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0025	0.0224	1
Brugia malayi	Fibronectin type III domain containing protein	0.0021	0.0093	0.0093
Schistosoma mansoni	nephrin	0.0027	0.0258	0.0376
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0018	0	0.5
Loa Loa (eye worm)	plexin A	0.0046	0.0865	0.0865
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0018	0	0.5
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0021	0.0093	0.0135
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0224	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0093	0.0093
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0025	0.0224	0.2586
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0018	0	0.5
Trichomonas vaginalis	adenylate cyclase, putative	0.0025	0.0224	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0224	0.0224
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0018	0	0.5
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0346	1	1
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0025	0.0224	0.2586
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0025	0.0224	1
Echinococcus granulosus	Immunoglobulin	0.0021	0.0093	0.1071
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0025	0.0224	1
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0025	0.0224	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0468	0.0468
Echinococcus granulosus	twitchin	0.0027	0.0258	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0093	0.0093
Echinococcus granulosus	roundabout 2	0.0033	0.0468	0.541
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Schistosoma mansoni	hypothetical protein	0.0023	0.0145	0.0211
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0018	0	0.5
Echinococcus multilocularis	Immunoglobulin	0.0021	0.0093	0.1071
Echinococcus granulosus	plexin a4	0.0046	0.0865	1
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0025	0.0224	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0028	0.0303	0.3504
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0468	0.0468
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0018	0	0.5
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0025	0.0224	1
Echinococcus multilocularis	Immunoglobulin	0.0021	0.0093	0.1071
Echinococcus multilocularis	plexin a4	0.0046	0.0865	1
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0025	0.0224	0.2586
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0145	0.0145
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0018	0	0.5
Schistosoma mansoni	single-minded	0.0025	0.0224	0.0327
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0025	0.0224	0.0224
Plasmodium vivax	phosphodiesterase gamma, putative	0.0018	0	0.5
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0243	0.6853	1
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0093	0.0093
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0025	0.0224	0.5
Giardia lamblia	hypothetical protein	0.0018	0	0.5
Leishmania major	protein kinase, putative	0.0025	0.0224	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.0093	0.0093
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0025	0.0224	1
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0018	0	0.5
Brugia malayi	PAS domain containing protein	0.0025	0.0224	0.0224
Schistosoma mansoni	plexin	0.0039	0.0646	0.0942
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0243	0.6853	0.6853
Schistosoma mansoni	cell adhesion molecule	0.0028	0.0303	0.0443
Plasmodium falciparum	phosphodiesterase delta, putative	0.0018	0	0.5
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0018	0	0.5
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0025	0.0224	1
Echinococcus multilocularis	neuroglian	0.0027	0.0258	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0224	0.6299	0.6299
Onchocerca volvulus		0.0039	0.0646	0.0465
Brugia malayi	hypothetical protein	0.0021	0.0093	0.0093
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0018	0	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0018	0	0.5
Echinococcus multilocularis	roundabout 2	0.0033	0.0468	0.541
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0093	0.0093
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0224	1
Mycobacterium leprae	Possible regulatory protein	0.0025	0.0224	0.5
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0021	0.0093	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0224	0.0224
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0025	0.0224	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0303	0.0303
Echinococcus granulosus	aryl hydrocarbon receptor	0.0025	0.0224	0.2586
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Onchocerca volvulus		0.0314	0.9026	0.9689
Giardia lamblia	Hypothetical protein	0.0018	0	0.5
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0025	0.0224	1
Schistosoma mansoni	vesicular amine transporter	0.0021	0.0093	0.0135
Schistosoma mansoni	aryl hydrocarbon receptor	0.0025	0.0224	0.0327
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0224	1
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0243	0.6853	0.6853
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Trichomonas vaginalis	guanylate cyclase, putative	0.0025	0.0224	1
Schistosoma mansoni	plexin	0.0023	0.0145	0.0211
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Brugia malayi	Plexin repeat family protein	0.0039	0.0646	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0224	0.6299	0.6299
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Brugia malayi	hypothetical protein	0.0025	0.0224	0.0224
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0646	0.0646
Echinococcus granulosus	neuroglian	0.0027	0.0258	0.2977
Onchocerca volvulus	Tyrosine kinase homolog	0.0323	0.9309	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0025	0.0224	1
Loa Loa (eye worm)	hypothetical protein	0.0224	0.6299	0.6299
Loa Loa (eye worm)	hypothetical protein	0.0243	0.6853	0.6853
Leishmania major	protein kinase, putative	0.0025	0.0224	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0093	0.0093
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0018	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.8 nM	Inhibition of PDE8A	ChEMBL.	21459572
IC50 (binding)	= 240 nM	Inhibition of PDE8B	ChEMBL.	21459572

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: CHEMBL1779978

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 1562388