TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.428 | Formula: C21H25NO4
H donors: 1 H acceptors: 3 LogP: 3.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#C[C@@]1(C[C@H]2[C@@H](C1)C[C@H](C2)C(=O)O)c1ccc(c(c1)OCC1CC1)OC
InChi: 1S/C21H25NO4/c1-25-18-5-4-17(8-19(18)26-11-13-2-3-13)21(12-22)9-15-6-14(20(23)24)7-16(15)10-21/h4-5,8,13-16H,2-3,6-7,9-11H2,1H3,(H,23,24)/t14-,15-,16+,21-
InChiKey: GZVHGBGPVKLJDQ-DOOXAVABSA-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 4D, cAMP-specific	Starlite/ChEMBL	References
Homo sapiens	phosphodiesterase 4B, cAMP-specific		References
Homo sapiens	phosphodiesterase 4C, cAMP-specific		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Neospora caninum	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium parvum	membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	Get druggable targets OG5_128242	All targets in OG5_128242
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	Get druggable targets OG5_128242	All targets in OG5_128242

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
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0047	0.0757	0.0763
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.3226	0.3253
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0041	0.0569	0.0574
Onchocerca volvulus		0.0023	0	0.5
Onchocerca volvulus		0.0023	0	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0023	0	0.5
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0041	0.0569	0.0574
Loa Loa (eye worm)	PDE1B protein	0.0041	0.0569	0.0574
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0124	0.3226	0.3742
Onchocerca volvulus		0.0023	0	0.5
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0041	0.0569	0.0574
Echinococcus multilocularis	geminin	0.0169	0.4632	0.4672
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0041	0.0569	0.0574
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0335	0.9915	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Schistosoma mansoni	hypothetical protein	0.0169	0.4632	0.4672
Onchocerca volvulus		0.0023	0	0.5
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0041	0.0569	0.0574
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0569	0.5
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Onchocerca volvulus		0.0023	0	0.5
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.018	0.4986	0.5784
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Onchocerca volvulus		0.0023	0	0.5
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0041	0.0569	0.5
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0335	0.9915	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0041	0.0569	0.0574
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.3226	0.3253
Echinococcus granulosus	tar DNA binding protein	0.0124	0.3226	0.3253
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0294	0.862	0.8694
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.3226	0.3253
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0041	0.0569	0.0574
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Brugia malayi	TAR-binding protein	0.0124	0.3226	0.3742
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0041	0.0569	0.066
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0041	0.0569	0.066
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0041	0.0569	0.0574
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0041	0.0569	0.0574
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0041	0.0569	0.0574
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0041	0.0569	0.0574
Onchocerca volvulus		0.0023	0	0.5
Onchocerca volvulus		0.0023	0	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0023	0	0.5
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0041	0.0569	0.5
Onchocerca volvulus		0.0023	0	0.5
Loa Loa (eye worm)	RNA binding protein	0.0124	0.3226	0.3253
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0124	0.3226	0.3253
Trypanosoma brucei	C-8 sterol isomerase, putative	0.018	0.4986	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0335	0.9915	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0043	0.0654	0.009
Schistosoma mansoni	hypothetical protein	0.0169	0.4632	0.4672
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0041	0.0569	0.0574
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0041	0.0569	0.5
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0041	0.0569	0.066
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0335	0.9915	1
Onchocerca volvulus		0.0023	0	0.5
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Leishmania major	C-8 sterol isomerase-like protein	0.018	0.4986	1
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0335	0.9915	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0294	0.862	0.8694
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0569	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0569	0.0574
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0041	0.0569	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0586	0.0591
Plasmodium vivax	phosphodiesterase gamma, putative	0.0041	0.0569	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0569	0.0574
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0041	0.0569	0.066
Onchocerca volvulus		0.0023	0	0.5
Brugia malayi	RNA binding protein	0.0124	0.3226	0.3742
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0294	0.862	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0041	0.0569	0.066
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0041	0.0569	0.0574
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0041	0.0569	0.0574
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0569	0.5
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0041	0.0569	0.0574
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0041	0.0569	0.0574
Onchocerca volvulus		0.0023	0	0.5
Onchocerca volvulus		0.0023	0	0.5
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0041	0.0569	0.0574
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Onchocerca volvulus		0.0023	0	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0047	0.0757	0.0763
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0041	0.0569	0.066
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0041	0.0569	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0335	0.9915	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Plasmodium falciparum	phosphodiesterase delta, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0335	0.9915	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0124	0.3226	0.3253
Echinococcus granulosus	geminin	0.0169	0.4632	0.4672
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0041	0.0569	0.0574
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0041	0.0569	0.5
Onchocerca volvulus		0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0569	0.0574
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Onchocerca volvulus		0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.018	0.4986	0.5029
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0041	0.0569	0.0574
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.3226	0.3253
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.3226	0.3253
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0041	0.0569	0.0574
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0294	0.862	0.8694
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0041	0.0569	0.5
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0041	0.0569	0.0574
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0041	0.0569	0.0574
Loa Loa (eye worm)	TAR-binding protein	0.0124	0.3226	0.3253
Onchocerca volvulus		0.0023	0	0.5
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.018	0.4986	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 100 nM	Inhibition of PDE4 from U937 monocytic cells	ChEMBL.	14980691
IC50 (binding)	= 100 nM	Inhibition of PDE4 from U937 monocytic cells	ChEMBL.	14980691
ID50 (functional)	0 mg kg-1	Inhibition of LPS-induced TNF-alpha production in rats 0.5 hr after oral dosing (Not tested)	ChEMBL.	14980691

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: CHEMBL269289

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 32955