TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.468 | Formula: C22H27N3O3
H donors: 0 H acceptors: 3 LogP: 2.92 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(n1)C(=O)N1CCC(CC1)Oc1ncccc1C1CCOCC1
InChi: 1S/C22H27N3O3/c1-16-4-2-6-20(24-16)22(26)25-12-7-18(8-13-25)28-21-19(5-3-11-23-21)17-9-14-27-15-10-17/h2-6,11,17-18H,7-10,12-15H2,1H3
InChiKey: UHLUOUZARCAWMX-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
Rattus norvegicus	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	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
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
Echinococcus multilocularis	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 congolense	cAMP-specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	656 aa	30.9 %
Leishmania braziliensis	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	674 aa	29.1 %
Drosophila melanogaster	Phosphodiesterase 6	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	684 aa	32.2 %
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 %
Leishmania infantum	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	30.4 %
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 %
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	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	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	26.5 %
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	682 aa	28.9 %
Trypanosoma brucei gambiense	cAMP-specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	661 aa	30.3 %
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	716 aa	26.0 %
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 %
Trypanosoma brucei	cAMP-specific phosphodiesterase	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	666 aa	30.5 %
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	665 aa	30.5 %
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	683 aa	27.5 %
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 %
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 %
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	668 aa	30.5 %
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 %
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	689 aa	22.8 %
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	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	cGMP-specific 3,5-cyclic phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	689 aa	22.8 %
Trypanosoma brucei gambiense	cAMP-specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	666 aa	30.5 %
Leishmania mexicana	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	672 aa	30.2 %
Leishmania braziliensis	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	674 aa	29.2 %
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 %
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 %
Trypanosoma brucei	cAMP-specific phosphodiesterase	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	661 aa	30.3 %
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 %
Leishmania infantum	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	30.6 %
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	668 aa	25.7 %
Leishmania donovani	cAMP specific phosphodiesterase, putative	cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A	794 aa	671 aa	30.6 %
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0047	0.0559	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0047	0.0559	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0047	0.0559	0.0559
Leishmania major	hypothetical protein, conserved	0.0047	0.0559	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0047	0.0559	1
Echinococcus granulosus	ring and YY1 binding protein	0.0047	0.0559	0.0559
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.0559	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0132	0.387	0.387
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0559	0.058
Leishmania major	hypothetical protein, conserved	0.0047	0.0559	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.0559	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0047	0.0559	0.0559
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.0559	1
Leishmania major	hypothetical protein, conserved	0.0047	0.0559	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0559	0.058
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0047	0.0559	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0047	0.0559	0.0559
Brugia malayi	SWIB/MDM2 domain containing protein	0.0132	0.387	0.387
Chlamydia trachomatis	SWIB complex protein	0.0132	0.387	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0047	0.0559	0.0559
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0132	0.387	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0132	0.387	0.387
Schistosoma mansoni	hypothetical protein	0.0132	0.387	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0559	0.058
Leishmania major	hypothetical protein, conserved	0.0047	0.0559	1
Trichomonas vaginalis	conserved hypothetical protein	0.0132	0.387	1
Schistosoma mansoni	zinc finger protein	0.0047	0.0559	0.1445
Trypanosoma brucei	hypothetical protein, conserved	0.0047	0.0559	1
Chlamydia trachomatis	DNA topoisomerase I	0.0132	0.387	0.5
Loa Loa (eye worm)	hypothetical protein	0.028	0.9647	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0047	0.0559	0.0559
Echinococcus multilocularis	SWI:SNF matrix associated	0.0132	0.387	0.387
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0132	0.387	1
Schistosoma mansoni	fusion	0.0047	0.0559	0.1445
Brugia malayi	YY1-associated factor 2	0.0047	0.0559	0.0559
Plasmodium vivax	hypothetical protein, conserved	0.0132	0.387	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0132	0.387	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0559	0.1445
Schistosoma mansoni	hypothetical protein	0.0132	0.387	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0559	0.058
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0047	0.0559	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0047	0.0559	0.1445
Echinococcus granulosus	Zinc finger RanBP2 type	0.0047	0.0559	0.0559
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0132	0.387	0.387
Schistosoma mansoni	brg-1 associated factor	0.0132	0.387	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0132	0.387	0.5
Schistosoma mansoni	RNA binding protein	0.0047	0.0559	0.1445
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0047	0.0559	0.0559
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0047	0.0559	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0559	0.058
Brugia malayi	brahma associated protein 60 kDa	0.0132	0.387	0.387
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0132	0.387	0.387
Echinococcus granulosus	zinc finger protein Ran binding	0.0047	0.0559	0.0559
Leishmania major	hypothetical protein, conserved	0.0047	0.0559	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0047	0.0559	1
Brugia malayi	brahma associated protein 60 kDa	0.0132	0.387	0.387
Trypanosoma brucei	hypothetical protein, conserved	0.0047	0.0559	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0047	0.0559	0.0559
Trypanosoma cruzi	WLM domain containing protein, putative	0.0047	0.0559	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0047	0.0559	1
Schistosoma mansoni	hypothetical protein	0.0132	0.387	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0132	0.387	0.387
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0047	0.0559	0.0559
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0132	0.387	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.8731	0.9051
Loa Loa (eye worm)	brahma associated protein	0.0132	0.387	0.4012
Onchocerca volvulus		0.0132	0.387	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0132	0.387	0.4012
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0047	0.0559	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1177 nM	BindingDB_Patents: Enzyme Inhibition Assay. Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).	ChEMBL.	No reference

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: CHEMBL3664374

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1947101