TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 372.346 | Formula: C15H19F3N6O2
H donors: 1 H acceptors: 4 LogP: 1.71 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1nc(NCC2CCCO2)c2c(n1)n(nn2)C[C@H]1CCCO1)(F)F
InChi: 1S/C15H19F3N6O2/c16-15(17,18)14-20-12(19-7-9-3-1-5-25-9)11-13(21-14)24(23-22-11)8-10-4-2-6-26-10/h9-10H,1-8H2,(H,19,20,21)/t9?,10-/m1/s1
InChiKey: GJWZHONWDHHAIK-QVDQXJPCSA-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
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
Schistosoma japonicum	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)	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
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 mansoni	camp-specific 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

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	F/Y-rich N-terminus family protein	0.0011	0.0088	0.007
Echinococcus granulosus	zinc finger protein	0.0022	0.035	0.035
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0009	0.0045	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.4039	0.6438
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0424	0.0424
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0262	0.6248	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2578	0.4084
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0009	0.0045	0.0045
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0009	0.0045	0.0045
Brugia malayi	PHD-finger family protein	0.0027	0.0483	0.0706
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0009	0.0045	0.0045
Schistosoma mansoni	ap endonuclease	0.0019	0.029	0.029
Echinococcus multilocularis	zinc finger protein	0.0022	0.035	0.035
Echinococcus granulosus	histone lysine methyltransferase setb	0.0018	0.0262	0.0262
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.1338	0.1338
Loa Loa (eye worm)	PDE1B protein	0.0009	0.0045	0.0002
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0424	0.0424
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0018	0.0262	0.0262
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.4039	0.6438
Trypanosoma brucei	ISWI complex protein	0.0016	0.0203	0.6446
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.029	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0717	0.0717
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0009	0.0045	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.4039	0.6438
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0262	0.0353
Schistosoma mansoni	zinc finger protein	0.0016	0.0203	0.0203
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.6248	1
Brugia malayi	Bromodomain containing protein	0.0078	0.1729	0.2715
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0777	0.1182
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.029	0.0398
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0009	0.0045	0.0045
Leishmania major	hypothetical protein, conserved	0.0016	0.0203	0.6446
Schistosoma mansoni	cpg binding protein	0.0029	0.0537	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0836	0.1277
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.6248	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0924	0.142
Schistosoma mansoni	hypothetical protein	0.0016	0.0203	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0121	0.28	0.4442
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.6248	1
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0009	0.0045	0.0045
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.029	1
Echinococcus granulosus	cpg binding protein	0.0033	0.0625	0.0625
Toxoplasma gondii	exonuclease III APE	0.0019	0.029	0.2063
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.029	0.029
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0247	0.0247
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.1349	0.1349
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.029	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0009	0.0045	0.0045
Echinococcus multilocularis	dnaJ subfamily B	0.0415	1	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0262	0.6248	1
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0336	0.0471
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.6248	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.029	0.0396
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0009	0.0045	0.0045
Onchocerca volvulus	Glucosylceramidase homolog	0.0172	0.4039	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1582	0.248
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0045	0.0002
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0009	0.0045	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.4039	0.6438
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.6248	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0009	0.0045	0.0045
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0424	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2578	0.4084
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.4039	0.6438
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0009	0.0045	0.0045
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0009	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0045	0.0002
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.029	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.029	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.1349	0.1349
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0009	0.0045	0.0045
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0009	0.0045	0.0045
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.1235	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.029	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0262	0.0262
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0009	0.0045	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.4266	0.6804
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0203	0.6446
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0045	0.0002
Trypanosoma cruzi	ISWI complex protein	0.0016	0.0203	0.6446
Schistosoma mansoni	bromodomain containing protein	0.0066	0.1438	0.1438
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0262	0.0262
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0009	0.0045	0.0045
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0009	0.0045	0.0045
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0009	0.0045	0.0045
Schistosoma mansoni	hypothetical protein	0.0021	0.0336	0.0336
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.029	1
Schistosoma mansoni	cpg binding protein	0.0033	0.0625	0.0625
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.029	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0537	0.0795
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.4266	0.6804
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.029	0.0396
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0121	0.28	0.28
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0009	0.0045	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.4039	0.6438
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0537	0.0793
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0009	0.0045	0.0045
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.029	0.029
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0247	0.0247
Schistosoma mansoni	zinc finger protein	0.0022	0.035	0.035
Schistosoma mansoni	ap endonuclease	0.0019	0.029	0.029
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0717	0.0717
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0262	0.0352
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0121	0.28	0.4442
Schistosoma mansoni	cpg binding protein	0.0033	0.0625	0.0625
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0121	0.28	0.4441
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2578	0.4084
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.029	1
Brugia malayi	Bromodomain containing protein	0.0039	0.0775	0.1178
Schistosoma mansoni	hypothetical protein	0.0415	1	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0009	0.0045	0.0045
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0009	0.0045	0.0045
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0009	0.0045	0.0045
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0247	0.0247
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.6248	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.029	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.029	0.0396
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0009	0.0045	0.0045
Echinococcus multilocularis	cpg binding protein	0.0033	0.0625	0.0625
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.029	0.5
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0009	0.0045	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.4039	0.6438
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.029	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 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: CHEMBL2070760

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 1667995