TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 345.37 | Formula: C17H15NO5S
H donors: 0 H acceptors: 3 LogP: 2.59 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)S(=O)(=O)n1ccc2c(c1=O)cccc2
InChi: 1S/C17H15NO5S/c1-22-15-8-7-13(11-16(15)23-2)24(20,21)18-10-9-12-5-3-4-6-14(12)17(18)19/h3-11H,1-2H3
InChiKey: XKPPDXZPGNBRCH-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	phosphodiesterase 4D, cAMP-specific	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Cryptosporidium hominis	hypothetical protein	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
Echinococcus multilocularis	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
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	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
Neospora caninum	cAMP-specific phosphodiesterase, putative	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
Schistosoma japonicum	IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing	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
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	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
Schistosoma mansoni	camp-specific 35-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
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	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
Cryptosporidium parvum	membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein	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
Mycobacterium ulcerans	hypothetical protein	0.0084	0.1016	0.1016
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0172	0.096
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0045	0.0381	0.375
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0172	0.0331
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0253	0.2486
Mycobacterium leprae	Probable lipase LipE	0.0084	0.1016	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0084	0.1016	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0035	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0381	0.0394
Brugia malayi	RNA, U transporter 1	0.0091	0.113	0.1168
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0045	0.0381	1
Onchocerca volvulus		0.0084	0.1016	0.2218
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0045	0.0381	0.375
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0172	0.1692
Onchocerca volvulus	Nischarin homolog	0.0221	0.3244	1
Mycobacterium ulcerans	beta-lactamase	0.0084	0.1016	0.1016
Entamoeba histolytica	hypothetical protein	0.0026	0.0074	0.2914
Mycobacterium tuberculosis	Conserved protein	0.0084	0.1016	0.1096
Mycobacterium tuberculosis	Probable hydrolase	0.0084	0.1016	0.1096
Mycobacterium leprae	conserved hypothetical protein	0.0084	0.1016	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1016	0.105
Brugia malayi	Importin beta-1 subunit	0.0032	0.0172	0.0178
Schistosoma mansoni	amine oxidase	0.0045	0.0381	0.0733
Trichomonas vaginalis	ran, putative	0.0024	0.0035	0.0341
Mycobacterium ulcerans	esterase/lipase LipP	0.0084	0.1016	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0381	0.0394
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0084	0.1016	0.1954
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0074	0.0724
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0045	0.0381	0.3529
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0537	0.8364	0.9022
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1464	0.1513
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0045	0.0381	0.2422
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0381	0.0394
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0074	0.0724
Mycobacterium ulcerans	oxidoreductase	0.0045	0.0381	0.0381
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0045	0.0381	0.0733
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0172	0.1398
Trichomonas vaginalis	esterase, putative	0.0084	0.1016	1
Brugia malayi	beta-lactamase family protein	0.0084	0.1016	0.105
Echinococcus multilocularis		0.0045	0.0381	0.0733
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0098	0.1244	0.1285
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0074	0.0724
Mycobacterium tuberculosis	Probable lipase LipD	0.0084	0.1016	0.1096
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0045	0.0381	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0253	0.2486
Trichomonas vaginalis	penicillin-binding protein, putative	0.0084	0.1016	1
Plasmodium falciparum	importin beta, putative	0.0032	0.0172	0.3962
Mycobacterium tuberculosis	Possible oxidoreductase	0.0045	0.0381	0.0411
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0035	0.0341
Schistosoma mansoni	ran	0.0024	0.0035	0.0067
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0253	0.2486
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0037	0.0253	1
Echinococcus multilocularis	snurportin 1	0.0342	0.5199	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0045	0.0381	0.0733
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0045	0.0381	1
Loa Loa (eye worm)	beta-lactamase	0.0084	0.1016	0.105
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0045	0.0381	0.0733
Echinococcus granulosus	ubiquitin specific protease 41	0.0037	0.0253	0.0486
Echinococcus granulosus	nischarin	0.0227	0.333	0.6404
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0045	0.0381	0.0733
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0045	0.0381	0.3529
Mycobacterium tuberculosis	Conserved protein	0.0084	0.1016	0.1096
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0381	0.0394
Plasmodium falciparum	protoporphyrinogen oxidase	0.0045	0.0381	1
Echinococcus multilocularis	nischarin	0.0227	0.333	0.6404
Mycobacterium ulcerans	monoamine oxidase	0.0045	0.0381	0.0381
Toxoplasma gondii	histone lysine-specific demethylase	0.0045	0.0381	0.2422
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0253	0.0261
Brugia malayi	amine oxidase, flavin-containing family protein	0.0045	0.0381	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0221	0.3244	0.3352
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0098	0.1244	0.1285
Plasmodium vivax	hypothetical protein, conserved	0.0084	0.1016	1
Leishmania major	UDP-galactopyranose mutase	0.0045	0.0381	0.375
Mycobacterium tuberculosis	Probable esterase LipL	0.0084	0.1016	0.1096
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0074	0.0724
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0084	0.1016	0.105
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.0381	0.3529
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0074	0.0724
Trichomonas vaginalis	D-aminoacylase, putative	0.0084	0.1016	1
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0618	0.9678	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0084	0.1016	0.105
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0045	0.0381	0.0411
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0112	0.1464	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0084	0.1016	0.1954
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0381	0.0394
Entamoeba histolytica	Ran family GTPase	0.0024	0.0035	0.1372
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0084	0.1016	0.1096
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.0381	0.3529
Mycobacterium tuberculosis	Probable lipase LipE	0.0084	0.1016	0.1096
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0381	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0618	0.9678	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0084	0.1016	0.1954
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0084	0.1016	0.1954
Brugia malayi	hypothetical protein	0.0221	0.3244	0.3352
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0045	0.0381	0.0733
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0342	0.5199	0.5373
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0253	0.2486
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0037	0.0253	0.0486
Leishmania major	GTP-binding protein, putative	0.0024	0.0035	0.0341
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0253	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0618	0.9678	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0084	0.1016	0.1096
Echinococcus granulosus	snurportin 1	0.0342	0.5199	1
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0618	0.9678	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0253	0.2486
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0253	0.0486
Brugia malayi	SWIRM domain containing protein	0.0045	0.0381	0.0394
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0098	0.1244	0.2392
Trypanosoma cruzi	hypothetical protein, conserved	0.0084	0.1016	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0035	0.0067
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0035	0.0036
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0112	0.1464	0.2816
Schistosoma mansoni	hypothetical protein	0.0342	0.5199	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0098	0.1244	0.2392
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0172	0.1692
Trichomonas vaginalis	penicillin-binding protein, putative	0.0084	0.1016	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0045	0.0381	0.0733
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0037	0.0253	0.1725
Mycobacterium ulcerans	dehydrogenase	0.0045	0.0381	0.0381
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0035	0.0036
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.1464	0.2816
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	0.1464	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.1464	0.2816
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1016	0.105
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0172	0.0178
Trichomonas vaginalis	D-aminoacylase, putative	0.0084	0.1016	1
Leishmania major	hypothetical protein, conserved	0.0084	0.1016	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0035	0.0067
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0637	1	1
Mycobacterium tuberculosis	Conserved protein	0.0084	0.1016	0.1096
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1016	0.105
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.1464	0.2816
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0035	0.0237
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.1464	0.2816
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1016	0.105
Toxoplasma gondii	ABC1 family protein	0.0084	0.1016	0.6864
Onchocerca volvulus		0.0084	0.1016	0.2218
Trypanosoma brucei	hypothetical protein, conserved	0.0084	0.1016	1
Onchocerca volvulus		0.0084	0.1016	0.2218
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0084	0.1016	0.1096
Trypanosoma cruzi	hypothetical protein, conserved	0.0084	0.1016	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0253	0.2486
Schistosoma mansoni	importin beta-1	0.0032	0.0172	0.0331
Schistosoma mansoni	ran	0.0024	0.0035	0.0067
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0593	0.9271	1
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0172	0.0331
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0253	0.0486
Mycobacterium ulcerans	lipase LipD	0.0084	0.1016	0.1016
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0037	0.0253	0.2486
Schistosoma mansoni	amine oxidase	0.0045	0.0381	0.0733
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0037	0.0253	0.0486
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0253	0.0486
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0035	0.0341
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0084	0.1016	0.1016
Brugia malayi	beta-lactamase	0.0084	0.1016	0.105
Brugia malayi	beta-lactamase family protein	0.0084	0.1016	0.105
Brugia malayi	hypothetical protein	0.0045	0.0381	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1016	0.105
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0045	0.0381	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1016	0.105
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0037	0.0253	0.0261
Echinococcus multilocularis	ubiquitin specific protease 41	0.0037	0.0253	0.0486

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.5 uM	Inhibition of phosphodiesterase 4	ChEMBL.	9873594
IC50 (binding)	= 0.5 uM	Inhibition of phosphodiesterase 4	ChEMBL.	9873594
IC50 (binding)	= 4 uM	Inhibiton of Rolipram binding to phosphodiesterase 4 at 20 uM	ChEMBL.	9873594
IC50 (binding)	= 4 uM	Inhibiton of Rolipram binding to phosphodiesterase 4 at 20 uM	ChEMBL.	9873594
Ratio (binding)	= 0.12	Ratio inhibition of phosphodiesterase 4 to Rolipram binding site activity was reported.	ChEMBL.	9873594

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

No external resources registered for this compound

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 145437