TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 478.494 | Formula: C26H26N2O7
H donors: 1 H acceptors: 4 LogP: 2.44 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCCN1C(=O)C(=C(C21C(=O)N(c1c2cccc1)CC)C(=O)c1ccc2c(c1)OCCO2)O
InChi: 1S/C26H26N2O7/c1-3-27-18-8-5-4-7-17(18)26(25(27)32)21(23(30)24(31)28(26)11-6-12-33-2)22(29)16-9-10-19-20(15-16)35-14-13-34-19/h4-5,7-10,15,30H,3,6,11-14H2,1-2H3
InChiKey: JWMGYVXNEYGKQR-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	Rap guanine nucleotide exchange factor (GEF) 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726

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
Loa Loa (eye worm)	hypothetical protein	0.004	0.0558	0.0558
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.004	0.0558	0.0558
Echinococcus granulosus	aryl hydrocarbon receptor	0.0024	0.0248	0.4451
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.004	0.0558	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.004	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.004	0.0558	0.0558
Mycobacterium leprae	Possible regulatory protein	0.0024	0.0248	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0558	1
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	0.5
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.004	0.0558	0.0558
Plasmodium vivax	phosphodiesterase gamma, putative	0.004	0.0558	0.5
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0024	0.0248	0.4451
Brugia malayi	N-terminal motif family protein	0.0218	0.3948	0.3948
Loa Loa (eye worm)	hypothetical protein	0.0536	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Loa Loa (eye worm)	hypothetical protein	0.0496	0.9238	0.9238
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	0.5
Loa Loa (eye worm)	hypothetical protein	0.0218	0.3948	0.3948
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.004	0.0558	0.5
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Loa Loa (eye worm)	hypothetical protein	0.0496	0.9238	0.9238
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.004	0.0558	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0536	1	1
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.004	0.0558	0.0558
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Brugia malayi	hypothetical protein	0.0024	0.0248	0.0248
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.004	0.0558	1
Giardia lamblia	hypothetical protein	0.004	0.0558	0.5
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.004	0.0558	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.004	0.0558	1
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	0.5
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.004	0.0558	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.004	0.0558	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.004	0.0558	0.0558
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0024	0.0248	0.5
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.004	0.0558	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.004	0.0558	0.5
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.004	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0248	0.0248
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.004	0.0558	0.0558
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.004	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0496	0.9238	0.9238
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.004	0.0558	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.004	0.0558	0.0558
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0558	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Schistosoma mansoni	single-minded	0.0024	0.0248	0.0248
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.004	0.0558	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0248	0.0248
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0536	1	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.004	0.0558	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0558	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0558	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.0024	0.0248	0.0248
Loa Loa (eye worm)	PDE1B protein	0.004	0.0558	0.0558
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Plasmodium falciparum	phosphodiesterase delta, putative	0.004	0.0558	0.5
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.004	0.0558	0.5
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.3948	1
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.004	0.0558	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0558	0.0558
Onchocerca volvulus		0.0024	0.0248	0.0629
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.004	0.0558	0.5
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0558	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Leishmania major	hypothetical protein, conserved	0.004	0.0558	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.004	0.0558	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0558	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Brugia malayi	PAS domain containing protein	0.0024	0.0248	0.0248
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.004	0.0558	0.0558
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.004	0.0558	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.004	0.0558	0.0558
Leishmania major	cAMP-specific phosphodiesterase, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0024	0.0248	0.4451
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.004	0.0558	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.004	0.0558	0.0558
Plasmodium falciparum	phosphodiesterase gamma, putative	0.004	0.0558	0.5
Giardia lamblia	Hypothetical protein	0.004	0.0558	0.5
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.004	0.0558	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0558	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0558	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.004	0.0558	0.0558
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.004	0.0558	1
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0558	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.004	0.0558	0.0558
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.004	0.0558	0.5
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0024	0.0248	0.0248
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.004	0.0558	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0558	1
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.004	0.0558	1
Leishmania major	protein kinase, putative	0.0028	0.0338	0.2896
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.004	0.0558	1
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0024	0.0248	0.4451
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.004	0.0558	0.0558
Leishmania major	hypothetical protein, conserved	0.004	0.0558	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.004	0.0558	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.004	0.0558	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1529661

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 1389730