TDR Targets

Basic information

Technical information

TDR Targets ID: 1358309
Name: ZINC07794271
MW: 412.479 | Formula: C23H28N2O5
H donors: 0 H acceptors: 2 LogP: 3.63 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N1CCN(CC1)C(=O)COC(=O)COc1cc(C)cc(c1)C
InChi: 1S/C23H28N2O5/c1-17-12-18(2)14-21(13-17)29-16-23(27)30-15-22(26)25-10-8-24(9-11-25)19-4-6-20(28-3)7-5-19/h4-7,12-14H,8-11,15-16H2,1-3H3
InChiKey: UYQJDDVDLHRHPZ-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) 3	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
Loa Loa (eye worm)	hypothetical protein	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

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
Schistosoma mansoni	ceramide glucosyltransferase	0.0315	0.3154	0.5355
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0368	0.3752	0.3119
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0203	0.188	0.8037
Trypanosoma cruzi	hypothetical protein, conserved	0.0118	0.092	0.4895
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0151	0.1294	0.5286
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.092	0.3532
Trypanosoma cruzi	hypothetical protein, conserved	0.0118	0.092	0.4895
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0203	0.188	0.2301
Trypanosoma brucei	hypothetical protein, conserved	0.0118	0.092	0.4895
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0486	0.5091	1
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	1
Plasmodium vivax	phosphodiesterase gamma, putative	0.0118	0.092	1
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0118	0.092	0.4895
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0205	0.191	0.109
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0375	0.3835	0.6987
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	0.3532
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0486	0.5091	1
Echinococcus granulosus	ceramide glucosyltransferase	0.0315	0.3154	0.5355
Trypanosoma cruzi	hypothetical protein, conserved	0.0118	0.092	0.4895
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0375	0.3835	0.321
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.024	0.2299	1
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0118	0.092	0.4895
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0118	0.092	0.3532
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0118	0.092	0.3532
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0118	0.092	0.3874
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0203	0.188	0.2301
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.017	0.1507	0.6283
Brugia malayi	Ceramide glucosyltransferase	0.0315	0.3154	0.246
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0118	0.092	0.4895
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0223	0.2111	0.2854
Leishmania major	hypothetical protein, conserved	0.0118	0.092	0.4895
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0298	0.2958	0.2244
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0298	0.2958	0.2244
Loa Loa (eye worm)	hypothetical protein	0.0218	0.2052	0.1247
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	0.3532
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0368	0.3752	0.3119
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0203	0.188	0.8037
Loa Loa (eye worm)	hypothetical protein	0.018	0.162	0.077
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0203	0.188	0.2301
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0151	0.1294	0.6883
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0315	0.3154	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Loa Loa (eye worm)	hypothetical protein	0.0919	1	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0155	0.1339	0.5496
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	0.4895
Brugia malayi	N-terminal motif family protein	0.0218	0.2052	0.1247
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0486	0.5091	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0118	0.092	0.3532
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Loa Loa (eye worm)	hypothetical protein	0.0486	0.5091	0.4594
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.092	0.3532
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0118	0.092	0.4895
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	0.3874
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0151	0.1294	0.5286
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0118	0.092	0.3532
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	0.3532
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0298	0.2958	0.4886
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0315	0.3154	0.246
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.017	0.1507	0.6283
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0155	0.1339	0.5496
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0253	0.2452	0.1687
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0052	0.0168	0.2863
Mycobacterium leprae	conserved hypothetical protein	0.0052	0.0168	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0486	0.5091	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0541	0.1754
Schistosoma mansoni	ceramide glucosyltransferase	0.0315	0.3154	0.5355
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0486	0.5091	1
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0118	0.092	0.4895
Leishmania major	hypothetical protein, conserved	0.0118	0.092	0.4895
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0203	0.188	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Toxoplasma gondii	hypothetical protein	0.0085	0.0541	0.0759
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0223	0.2111	1
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0541	0.1754
Loa Loa (eye worm)	hypothetical protein	0.0801	0.8661	0.8526
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.024	0.2299	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.017	0.1507	0.6283
Loa Loa (eye worm)	hypothetical protein	0.0298	0.2958	0.2244
Loa Loa (eye worm)	hypothetical protein	0.0253	0.2452	0.1687
Trypanosoma cruzi	hypothetical protein, conserved	0.0118	0.092	0.4895
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	1
Plasmodium falciparum	phosphodiesterase delta, putative	0.0118	0.092	0.3874
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0223	0.2111	0.2854
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0203	0.188	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0118	0.092	0.4895
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0368	0.3752	0.679
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0203	0.188	0.8037
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0203	0.188	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.024	0.2299	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0223	0.2111	0.2854
Loa Loa (eye worm)	hypothetical protein	0.018	0.162	0.077
Giardia lamblia	Ceramide glucosyltransferase	0.0143	0.1201	0.0673
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0203	0.188	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.2496	0.1735
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	0.3532
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0118	0.092	0.4895
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0118	0.092	0.3874
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0203	0.188	0.8037
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0375	0.3835	0.6987
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0089	0.0586	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0203	0.188	0.8037
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0486	0.5091	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0089	0.0586	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Trypanosoma cruzi	hypothetical protein, conserved	0.0118	0.092	0.4895
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0203	0.188	1
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0118	0.092	0.3874
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0203	0.188	0.8037
Trichomonas vaginalis	conserved hypothetical protein	0.024	0.2299	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0486	0.5091	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0118	0.092	0.1529
Echinococcus multilocularis	ceramide glucosyltransferase	0.0315	0.3154	0.5355
Loa Loa (eye worm)	hypothetical protein	0.018	0.162	0.077
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0541	0.1754
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0118	0.092	0.4895
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0253	0.2452	0.3673
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0203	0.188	0.8037
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0118	0.092	0.4895
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0118	0.092	0.4895
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0223	0.2111	0.3946
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0203	0.188	0.8037
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0368	0.3752	0.679

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.2589 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 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
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1478702

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 1358309