TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 498.53 | Formula: C28H26N4O5
H donors: 0 H acceptors: 4 LogP: 3.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)n1c(CCN2C(=O)c3c(C2=O)c(ccc3)OC(C)C)nc2c(c1=O)ccc(n2)C
InChi: 1S/C28H26N4O5/c1-16(2)37-22-7-5-6-20-24(22)28(35)31(26(20)33)15-14-23-30-25-21(13-8-17(3)29-25)27(34)32(23)18-9-11-19(36-4)12-10-18/h5-13,16H,14-15H2,1-4H3
InChiKey: LYDHIRYYLWWLKX-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 10A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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_135363	All targets in OG5_135363
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	Get druggable targets OG5_135363	All targets in OG5_135363
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	Get druggable targets OG5_135363	All targets in OG5_135363

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	cAMP-specific phosphodiesterase	phosphodiesterase 10A	789 aa	666 aa	30.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0009	0.0062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.035	0.1014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.003	0.0257	0.0695
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0386	0.2526
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Plasmodium vivax	hypothetical protein, conserved	0.0023	0.0009	0.5
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0053	0.113	1
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.035	0.2294
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0064	0.1527	0.524
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0033	0.035	0.035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0257	0.168
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.035	0.1014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0009	0.0062
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0053	0.113	0.3831
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0053	0.113	0.3671
Loa Loa (eye worm)	hypothetical protein	0.0256	0.8776	0.9085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Giardia lamblia	GTOR	0.0053	0.113	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0412	0.0426
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0053	0.113	0.3831
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0053	0.113	0.113
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0053	0.113	0.6631
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0053	0.113	0.3831
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.003	0.0257	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0033	0.035	0.0363
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0257	0.168
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0064	0.1527	1
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0386	0.2526
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0044	0.0797	0.38
Loa Loa (eye worm)	hypothetical protein	0.028	0.9659	1
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0262	0.8974	0.8974
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0257	0.168
Loa Loa (eye worm)	phosphatidylinositol 3	0.0053	0.113	0.117
Loa Loa (eye worm)	hypothetical protein	0.003	0.0257	0.0266
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0103	0.2989	0.2989
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0653	0.4276
Entamoeba histolytica	hypothetical protein	0.0044	0.0797	0.6189
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.035	0.1014
Trypanosoma cruzi	target of rapamycin kinase 3	0.0053	0.113	0.3671
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Echinococcus multilocularis	serine protein kinase ATM	0.0044	0.0797	0.0797
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0053	0.113	0.3831
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0386	0.0399
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Schistosoma mansoni	fkbp-rapamycin associated protein	0.003	0.0257	0.0858
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0797	0.0797
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0034	0.0412	0.1223
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Mycobacterium leprae	conserved hypothetical protein	0.0023	0.0009	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0257	0.168
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0103	0.2989	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0053	0.113	0.113
Plasmodium falciparum	GAF domain-related protein, putative	0.0023	0.0009	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0103	0.2989	0.2989
Mycobacterium ulcerans	putative regulatory protein	0.0023	0.0009	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0053	0.113	0.6631
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0023	0.0009	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0009	0.0062
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0103	0.2989	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0053	0.113	0.113
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0033	0.035	0.035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Echinococcus granulosus	serine protein kinase ATM	0.0044	0.0797	0.0797
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0053	0.113	0.3783
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Mycobacterium ulcerans	putative regulatory protein	0.0023	0.0009	0.5
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0033	0.0386	0.03
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0033	0.035	0.1172
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0053	0.113	0.6631
Trypanosoma cruzi	hypothetical protein, conserved	0.0089	0.248	0.8269
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.003	0.0257	0.0257
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.003	0.0257	0.0257
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0262	0.8974	0.8974
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0053	0.113	0.3671
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0044	0.0797	0.2668
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0053	0.113	0.6631
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0023	0.0009	0.5
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Leishmania major	hypothetical protein, conserved	0.0099	0.2866	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0797	0.5222
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0033	0.0386	0.3356
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0041	0.0653	0.4536
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0033	0.035	0.1172
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0009	0.0062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1527	1
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0023	0.0009	0.5
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0053	0.113	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0257	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0053	0.113	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0033	0.035	0.2294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.113	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0257	0.168
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0103	0.2989	0.2989
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.1527	0.1581
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0044	0.0797	0.2537
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0103	0.2989	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.035	0.2294
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0033	0.035	0.035
Toxoplasma gondii	FATC domain-containing protein	0.0044	0.0797	0.7029

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.1 nM	Inhibition of PDE10A by fluorescence polarization assay	ChEMBL.	22834877

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: CHEMBL2180427

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 1722587