TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 510.625 | Formula: C28H38N4O5
H donors: 5 H acceptors: 5 LogP: 2.07 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: NCCCNC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccc(cc1)O)(Cc1ccc(cc1)O)C
InChi: 1S/C28H38N4O5/c1-28(27(37)30-17-4-16-29,19-21-10-14-23(34)15-11-21)31-26(36)24-6-3-18-32(24)25(35)7-2-5-20-8-12-22(33)13-9-20/h8-15,24,33-34H,2-7,16-19,29H2,1H3,(H,30,37)(H,31,36)/t24-,28?/m0/s1
InChiKey: KHBHKELVCLYNSG-ZZDYIDRTSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0066	0.0482	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0066	0.0482	0.0482
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0066	0.0482	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0066	0.0482	1
Plasmodium falciparum	phosphodiesterase delta, putative	0.0066	0.0482	0.5
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0066	0.0482	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0066	0.0482	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0482	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0066	0.0482	0.0482
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0066	0.0482	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0482	0.0482
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0066	0.0482	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0482	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0886	1	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0066	0.0482	0.0482
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Loa Loa (eye worm)	hypothetical protein	0.082	0.9232	0.9232
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0482	0.0482
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Trypanosoma brucei	hypothetical protein, conserved	0.0066	0.0482	0.5
Leishmania major	hypothetical protein, conserved	0.0066	0.0482	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0066	0.0482	0.0482
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Loa Loa (eye worm)	hypothetical protein	0.082	0.9232	0.9232
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0886	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0066	0.0482	0.0482
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0066	0.0482	0.0482
Leishmania major	hypothetical protein, conserved	0.0066	0.0482	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0066	0.0482	1
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0066	0.0482	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0482	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	0.5
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0066	0.0482	0.0482
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0482	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0066	0.0482	0.0482
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	0.5
Loa Loa (eye worm)	hypothetical protein	0.0886	1	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0482	0.0482
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0482	1
Loa Loa (eye worm)	PDE1B protein	0.0066	0.0482	0.0482
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0066	0.0482	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0482	1
Loa Loa (eye worm)	hypothetical protein	0.082	0.9232	0.9232
Plasmodium vivax	phosphodiesterase gamma, putative	0.0066	0.0482	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0066	0.0482	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0066	0.0482	1
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0066	0.0482	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0482	1
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0066	0.0482	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0066	0.0482	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Mycobacterium leprae	Possible regulatory protein	0.0025	0	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0066	0.0482	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	0.5
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0066	0.0482	1
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0066	0.0482	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0066	0.0482	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0482	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0066	0.0482	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0066	0.0482	0.0482
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0066	0.0482	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Onchocerca volvulus		0.0025	0	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0066	0.0482	1
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0066	0.0482	0.5
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0066	0.0482	0.0482
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0066	0.0482	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	1
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0066	0.0482	0.5
Giardia lamblia	hypothetical protein	0.0066	0.0482	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0066	0.0482	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	0.5
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0025	0	0.5
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0066	0.0482	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0066	0.0482	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0066	0.0482	1
Giardia lamblia	Hypothetical protein	0.0066	0.0482	0.5
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0066	0.0482	0.0482
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0066	0.0482	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0066	0.0482	0.0482
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0066	0.0482	0.0482
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0066	0.0482	0.5
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0066	0.0482	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0066	0.0482	1
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0066	0.0482	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0066	0.0482	0.0482
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0066	0.0482	0.0482

Activities

No activities found for this compound.

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: CHEMBL1194212

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 1155567