TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 315.33 | Formula: C14H17N7O2
H donors: 1 H acceptors: 5 LogP: 0.62 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1onc(c1)c1nc(N)c2c(n1)n(nn2)CC1CCCCO1
InChi: 1S/C14H17N7O2/c1-8-6-10(19-23-8)13-16-12(15)11-14(17-13)21(20-18-11)7-9-4-2-3-5-22-9/h6,9H,2-5,7H2,1H3,(H2,15,16,17)
InChiKey: AVRGVORYSNSQFM-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
Schistosoma japonicum	ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative	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)	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
Loa Loa (eye worm)	calcium/calmodulin-stimulated 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
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
Brugia malayi	hypothetical protein	0.0039	0.0216	0.032
Loa Loa (eye worm)	hypothetical protein	0.0121	0.4615	0.6842
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.0235	0.0342
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0158	0.6561	0.9729
Loa Loa (eye worm)	hypothetical protein	0.0112	0.4131	0.6126
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0012	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0012	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0121	0.4615	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0112	0.4131	0.6126
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0012	0.0018
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0092	0.3066	0.4457
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.0235	0.0342
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0507	0.0738
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0	0.5
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0012	1
Echinococcus granulosus	geminin	0.0164	0.6878	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0507	0.0752
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0012	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0161	0.6744	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.0216	1
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0012	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0012	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0012	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.6561	0.954
Echinococcus granulosus	lysosomal alpha glucosidase	0.0158	0.6561	0.954
Brugia malayi	jmjC domain containing protein	0.0092	0.3066	0.4546
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0012	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0012	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0507	0.0738
Mycobacterium leprae	conserved hypothetical protein	0.0035	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0507	0.0738
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0158	0.6561	0.9729
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.1247	0.1849
Schistosoma mansoni	alpha glucosidase	0.0035	0.0012	0.0018
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0012	0.0018
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0216	0.0313
Trypanosoma brucei	glucosidase, putative	0.0035	0.0012	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0507	0.0738
Echinococcus granulosus	muscleblind protein	0.0161	0.6744	0.9806
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0507	0.0738
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0216	0.0313
Schistosoma mansoni	hypothetical protein	0.0039	0.0216	0.0313
Plasmodium vivax	hypothetical protein, conserved	0.0035	0	0.5
Schistosoma mansoni	hypothetical protein	0.0164	0.6878	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0507	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0112	0.4131	0.6126
Loa Loa (eye worm)	hypothetical protein	0.0048	0.072	0.1068
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0012	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0012	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0012	1
Schistosoma mansoni	hypothetical protein	0.0164	0.6878	1
Mycobacterium ulcerans	lipase LipD	0.0035	0	0.5
Mycobacterium ulcerans	hypothetical protein	0.0035	0	0.5
Echinococcus multilocularis	muscleblind protein	0.0161	0.6744	0.9806
Echinococcus multilocularis	geminin	0.0164	0.6878	1
Schistosoma mansoni	jumonji domain containing protein	0.0073	0.2054	0.2987
Schistosoma mansoni	alpha-glucosidase	0.0136	0.5389	0.7836
Entamoeba histolytica	hypothetical protein	0.0039	0.0216	1
Echinococcus multilocularis	muscleblind protein 1	0.0161	0.6744	0.9806
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.6561	0.954
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0012	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0092	0.3066	0.4457
Loa Loa (eye worm)	hypothetical protein	0.0161	0.6744	1
Schistosoma mansoni	alpha-glucosidase	0.0136	0.5389	0.7836
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0216	0.0313
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0012	1
Mycobacterium ulcerans	beta-lactamase	0.0035	0	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.0216	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0507	0.0752
Entamoeba histolytica	hypothetical protein	0.0039	0.0216	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0507	0.0738
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0012	0.0018
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0121	0.4615	0.6842
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0121	0.4615	0.6709
Brugia malayi	Muscleblind-like protein	0.0161	0.6744	1
Onchocerca volvulus		0.0091	0.3013	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.388 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: CHEMBL2070908

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 1665900