TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 316.381 | Formula: C14H16N6OS
H donors: 1 H acceptors: 4 LogP: 1.46 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc(nc2c1nnn2CC1CCCCO1)c1cccs1
InChi: 1S/C14H16N6OS/c15-12-11-14(17-13(16-12)10-5-3-7-22-10)20(19-18-11)8-9-4-1-2-6-21-9/h3,5,7,9H,1-2,4,6,8H2,(H2,15,16,17)
InChiKey: OWBNUPQLRZUHKG-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 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
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family 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
Loa Loa (eye worm)	hypothetical protein	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)	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	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
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0007	0.0017
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0681	0.0681
Schistosoma mansoni	cpg binding protein	0.0028	0.0496	0.0489
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0009	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0172	0.0447
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0681	0.177
Leishmania major	hypothetical protein, conserved	0.0025	0.0408	0.5946
Mycobacterium tuberculosis	Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H)	0.0149	0.3543	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0248	0.3575
Schistosoma mansoni	ap endonuclease	0.0019	0.0248	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2612	0.6785
Schistosoma mansoni	alpha-glucosidase	0.0139	0.3283	0.3278
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0248	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0013	0.0114	0.1597
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0248	0.6013
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1024	0.2647
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0172	0.0172
Brugia malayi	NADH dehydrogenase subunit 1	0.004	0.0791	0.2042
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0248	0.0248
Schistosoma mansoni	alpha-glucosidase	0.0139	0.3283	0.3278
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0013	0.0114	0.1597
Echinococcus granulosus	GPCR family 2	0.0016	0.0172	0.0172
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0408	0.5946
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0248	0.0248
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0681	1
Onchocerca volvulus		0.0093	0.2133	0.7407
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0007	0.0017
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0408	1
Loa Loa (eye worm)	PDE1B protein	0.0009	0.0007	0.0017
Schistosoma mansoni	hypothetical protein	0.0016	0.0172	0.0166
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0009	0.0007	0.0007
Schistosoma mansoni	NADH dehydrogenase subunit 1	0.004	0.0791	0.0785
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0114	0.1597
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0172	0.0447
Schistosoma mansoni	hypothetical protein	0.0149	0.3543	0.3538
Leishmania major	glycosyl hydrolase-like protein	0.0013	0.0114	0.1597
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0013	0.0114	0.1597
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0009	0.0007	0.0007
Schistosoma mansoni	hypothetical protein	0.0016	0.0172	0.0166
Brugia malayi	hypothetical protein	0.0025	0.0408	0.1044
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0172	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0007	0.0017
Toxoplasma gondii	exonuclease III APE	0.0019	0.0248	0.2133
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0009	0.0007	0.0007
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0496	0.1272
Mycobacterium ulcerans	formate hydrogenlyase HycD	0.004	0.0791	0.1649
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0681	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0681	1
Onchocerca volvulus		0.0028	0.0496	0.1399
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0408	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0009	0.0007	0.0007
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1024	0.2647
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0172	0.0172
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0009	0.0007	0.0007
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0009	0.0007	0.0007
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0681	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0248	0.3575
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0121	0.2841	0.2836
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.385	0.385
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0248	0.2354
Brugia malayi	hypothetical protein	0.0016	0.0185	0.0463
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.1138	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0009	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0121	0.284	0.7376
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0172	0.0172
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0681	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0496	0.1288
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0009	0.0007	0.0007
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0681	0.1756
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0009	0.0007	0.0007
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0172	0.0172
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0408	1
Schistosoma mansoni	cpg binding protein	0.003	0.0537	0.053
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0114	0.1597
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0009	0.0007	0.0007
Loa Loa (eye worm)	NADH dehydrogenase subunit 1	0.004	0.0791	0.2056
Schistosoma mansoni	ap endonuclease	0.0019	0.0248	0.0241
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0248	0.6013
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0408	0.106
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0681	0.0681
Schistosoma mansoni	hypothetical protein	0.0016	0.0172	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1024	0.2659
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0408	0.5946
Schistosoma mansoni	hypothetical protein	0.0016	0.0172	0.0166
Mycobacterium tuberculosis	Possible formate hydrogenlyase HycD (FHL)	0.004	0.0791	0.1649
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0172	0.043
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0013	0.0114	0.028
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0114	0.1597
Schistosoma mansoni	cpg binding protein	0.003	0.0537	0.053
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0408	0.3547
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0114	0.1597
Loa Loa (eye worm)	hypothetical protein	0.0034	0.063	0.1635
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0681	1
Trypanosoma brucei	glucosidase, putative	0.0036	0.0681	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0114	0.1597
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.063	0.1621
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0009	0.0007	0.0007
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0114	0.1597
Schistosoma mansoni	hypothetical protein	0.0011	0.006	0.0054
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.385	0.385
Echinococcus multilocularis	cpg binding protein	0.003	0.0537	0.0537
Brugia malayi	NADH dehydrogenase subunit 1, identical	0.004	0.0791	0.2042
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0009	0.0007	0.0007
Onchocerca volvulus	Huntingtin homolog	0.0121	0.284	1
Brugia malayi	hypothetical protein	0.0121	0.284	0.7372
Brugia malayi	hypothetical protein	0.004	0.0791	0.2042
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0681	1
Echinococcus multilocularis	dnaJ subfamily B	0.0405	1	1
Echinococcus granulosus	cpg binding protein	0.003	0.0537	0.0537
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0681	1
Onchocerca volvulus	Huntingtin homolog	0.0121	0.284	1
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0009	0.0007	0.0007
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0121	0.2841	0.738
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0681	1
Schistosoma mansoni	hypothetical protein	0.0034	0.063	0.0623
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0121	0.2841	0.7375
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0009	0.0007	0.0007
Wolbachia endosymbiont of Brugia malayi	NADH dehydrogenase subunit H	0.0149	0.3543	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.13	0.1294
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.006	0.006
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0681	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0408	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0121	0.284	0.7376
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0248	0.3575
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0114	0.1597
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0114	0.0297
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0248	0.3575
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0681	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2612	0.6785
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2841	0.738
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0013	0.0114	0.1597
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.006	0.006
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0248	0.3575
Echinococcus granulosus	NADH dehydrogenase subunit 1	0.0149	0.3543	0.3543
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0172	0.043
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0009	0.0007	0.0007
Schistosoma mansoni	hypothetical protein	0.0405	1	1
Mycobacterium ulcerans	NADH dehydrogenase subunit H	0.0149	0.3543	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0161	0.385	0.385
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0681	0.5966
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2612	0.6785
Onchocerca volvulus		0.004	0.0791	0.2484
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0248	0.0628
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0161	0.385	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0681	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0681	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0248	0.3575
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1024	0.2659
Schistosoma mansoni	alpha glucosidase	0.0036	0.0681	0.0675
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0248	0.5
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0681	1
Onchocerca volvulus		0.004	0.0791	0.2484
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0161	0.385	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0248	0.0644

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0171 uM	Inhibition of PDE8B expressed in Sf9 insect cells	ChEMBL.	22858141

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: CHEMBL2070769

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 1665021