TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 434.491 | Formula: C23H26N6O3
H donors: 0 H acceptors: 4 LogP: 1.81 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCOc1cncc(c1)c1nnc2n1c1cc(ccc1nc2C)CN1CCOCC1
InChi: 1S/C23H26N6O3/c1-16-22-26-27-23(18-12-19(14-24-13-18)32-10-9-30-2)29(22)21-11-17(3-4-20(21)25-16)15-28-5-7-31-8-6-28/h3-4,11-14H,5-10,15H2,1-2H3
InChiKey: RBCNIKAFOHITAE-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 2A, cGMP-stimulated	Starlite/ChEMBL	References
Rattus norvegicus	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	Get druggable targets OG5_135363	All targets in OG5_135363
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	Get druggable targets OG5_135549	All targets in OG5_135549
Schistosoma japonicum	ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative	Get druggable targets OG5_135549	All targets in OG5_135549
Schistosoma japonicum	cGMP-dependent 3',5'-cyclic phosphodiesterase, putative	Get druggable targets OG5_135549	All targets in OG5_135549
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	Get druggable targets OG5_135549	All targets in OG5_135549
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	Get druggable targets OG5_135363	All targets in OG5_135363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_135363	All targets in OG5_135363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_135549	All targets in OG5_135549
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	Get druggable targets OG5_135363	All targets in OG5_135363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_135363	All targets in OG5_135363
Schistosoma japonicum	cGMP-dependent 3',5'-cyclic phosphodiesterase, putative	Get druggable targets OG5_135549	All targets in OG5_135549

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	665 aa	23.5 %
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	661 aa	22.7 %
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	phosphodiesterase 2A, cGMP-stimulated	934 aa	748 aa	27.1 %
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	679 aa	26.7 %
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	712 aa	25.0 %
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	693 aa	25.3 %
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	688 aa	29.1 %
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	686 aa	24.1 %
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	683 aa	27.5 %
Trypanosoma brucei gambiense	cAMP-specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	666 aa	30.5 %
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	689 aa	22.8 %
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	682 aa	28.9 %
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	682 aa	23.5 %
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	26.5 %
Leishmania infantum	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	30.6 %
Trypanosoma brucei gambiense	cAMP-specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	661 aa	30.3 %
Leishmania mexicana	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	672 aa	30.2 %
Leishmania mexicana	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	30.8 %
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	653 aa	23.0 %
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	665 aa	30.5 %
Trypanosoma brucei	cAMP-specific phosphodiesterase	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	666 aa	30.5 %
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	686 aa	29.0 %
Leishmania donovani	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	30.6 %
Drosophila melanogaster	Phosphodiesterase 6	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	684 aa	32.2 %
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	668 aa	30.5 %
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	699 aa	25.5 %
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	668 aa	24.7 %
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	716 aa	26.0 %
Trypanosoma congolense	cAMP-specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	656 aa	30.9 %
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	689 aa	22.8 %
Leishmania braziliensis	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	674 aa	29.2 %
Trypanosoma brucei	cAMP-specific phosphodiesterase	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	661 aa	30.3 %
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	711 aa	26.2 %
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	668 aa	25.7 %
Leishmania infantum	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	30.4 %
Leishmania braziliensis	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	674 aa	29.1 %
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	666 aa	29.1 %
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	655 aa	24.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0133	0.0171	0.0818
Mycobacterium tuberculosis	Possible lysophospholipase	0.1036	0.2211	0.2211
Mycobacterium ulcerans	amidase	0.0133	0.0171	0.0171
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0981	0.2086	1
Mycobacterium ulcerans	amidase	0.0133	0.0171	0.0171
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0981	0.2086	1
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0133	0.0171	0.0721
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0161	0.0233	0.0986
Mycobacterium ulcerans	peptide amidase, GatA	0.0133	0.0171	0.0171
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0133	0.0171	0.0171
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0087	0.0066	0.0066
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0981	0.2086	1
Onchocerca volvulus		0.0099	0.0092	0.5
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0981	0.2086	1
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0133	0.0171	0.0171
Trypanosoma brucei	monoglyceride lipase, putative	0.0981	0.2086	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0133	0.0171	0.0721
Mycobacterium ulcerans	2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD	0.4482	1	1
Loa Loa (eye worm)	hypothetical protein	0.0161	0.0233	0.0986
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1105	0.2368	1
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0091	0.0075	0.0319
Brugia malayi	Amidase family protein	0.0133	0.0171	0.0721
Trypanosoma cruzi	amidase, putative	0.0133	0.0171	0.0818
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0133	0.0171	0.0818
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0133	0.0171	0.0171
Toxoplasma gondii	hypothetical protein	0.0058	0	0.5
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0981	0.2086	1
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0133	0.0171	0.0171
Toxoplasma gondii	peptidase S15, putative	0.0058	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0981	0.2086	1
Plasmodium falciparum	esterase, putative	0.0981	0.2086	1
Toxoplasma gondii	protein c14orf29, putative	0.0058	0	0.5
Schistosoma mansoni	fatty-acid amide hydrolase	0.0133	0.0171	0.0721
Mycobacterium ulcerans	lysophospholipase	0.0981	0.2086	0.2086
Echinococcus multilocularis	patatin phospholipase domain containing protein	0.0099	0.0092	0.039
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0313	0.0578	0.2439
Trypanosoma cruzi	amidase, putative	0.0133	0.0171	0.0818
Brugia malayi	Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative	0.0099	0.0092	0.039
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0062	0.0009	0.0045
Trypanosoma brucei	monoglyceride lipase, putative	0.0981	0.2086	1
Toxoplasma gondii	hypothetical protein	0.0058	0	0.5
Plasmodium falciparum	lysophospholipase, putative	0.0981	0.2086	1
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0091	0.0075	0.0319
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0058	0	0.5
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0133	0.0171	0.0818
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.0102	0.049
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0133	0.0171	0.0721
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.0102	0.049
Brugia malayi	Amidase family protein	0.0133	0.0171	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0256	0.0449	0.1896
Mycobacterium ulcerans	amidase	0.0133	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.1105	0.2368	1
Toxoplasma gondii	hypothetical protein	0.0058	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0297	0.0542	0.2288
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0062	0.0009	0.0045
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1105	0.2368	1
Mycobacterium ulcerans	hypothetical protein	0.0981	0.2086	0.2086
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0313	0.0578	0.2439
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0058	0	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0103	0.0102	0.049
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0133	0.0171	0.0721
Leishmania major	hypothetical protein, conserved	0.0133	0.0171	0.0818
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0133	0.0171	0.0171
Trypanosoma cruzi	monoglyceride lipase, putative	0.0981	0.2086	1
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0087	0.0066	0.0066
Brugia malayi	putative amidase	0.0133	0.0171	0.0721
Schistosoma mansoni	amidase	0.1105	0.2368	1
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0133	0.0171	0.0721
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1105	0.2368	1
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0133	0.0171	0.5
Schistosoma mansoni	fatty-acid amide hydrolase	0.1105	0.2368	1
Plasmodium vivax	PST-A protein	0.0981	0.2086	1
Plasmodium falciparum	lysophospholipase, putative	0.0981	0.2086	1
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0133	0.0171	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0981	0.2086	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1105	0.2368	1
Toxoplasma gondii	phospholipase/carboxylesterase	0.0058	0	0.5
Mycobacterium ulcerans	amidase	0.0133	0.0171	0.0171
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0981	0.2086	1
Mycobacterium ulcerans	amidase	0.0133	0.0171	0.0171
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0058	0	0.5
Toxoplasma gondii	phospholipase	0.0058	0	0.5
Leishmania major	monoglyceride lipase, putative	0.0981	0.2086	1
Brugia malayi	amidase	0.1105	0.2368	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0133	0.0171	1
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0133	0.0171	0.0171
Loa Loa (eye worm)	amidase	0.0133	0.0171	0.0721
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0313	0.0578	0.2439
Mycobacterium tuberculosis	Conserved protein	0.0099	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0092	0.039
Loa Loa (eye worm)	amidase	0.0133	0.0171	0.0721
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.0058	0	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0103	0.0102	0.049
Trichomonas vaginalis	conserved hypothetical protein	0.0981	0.2086	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0161	0.0233	0.0986
Echinococcus granulosus	patatin phospholipase domain containing protein	0.0099	0.0092	0.039
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0981	0.2086	1
Toxoplasma gondii	hypothetical protein	0.0058	0	0.5
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.1036	0.2211	1
Plasmodium falciparum	lysophospholipase, putative	0.0981	0.2086	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 123 nM	Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method	ChEMBL.	25221665
IC50 (binding)	= 7762 nM	Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method	ChEMBL.	25221665

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: CHEMBL3331522

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 928789