TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.384 | Formula: C20H21NO5
H donors: 0 H acceptors: 3 LogP: 3.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1Cc2ccc(cc2OC1=O)OCCc1ccc(cn1)CC
InChi: 1S/C20H21NO5/c1-3-13-4-6-15(21-12-13)8-9-25-16-7-5-14-10-17(19(22)24-2)20(23)26-18(14)11-16/h4-7,11-12,17H,3,8-10H2,1-2H3
InChiKey: LMDZLUQBEMSKDT-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

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
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0281	0.2163	0.2163
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0176	0.0837	0.0837
Leishmania major	cathepsin L-like protease	0.0281	0.2163	0.6858
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Toxoplasma gondii	cathepsin B	0.033	0.277	1
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0176	0.0837	0.078
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0176	0.0837	0.078
Toxoplasma gondii	cathepsin CPL	0.0281	0.2163	0.6858
Schistosoma mansoni	cathepsin F (C01 family)	0.0281	0.2163	0.2163
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Trypanosoma cruzi	cysteine peptidase, putative	0.0281	0.2163	0.1663
Loa Loa (eye worm)	hypothetical protein	0.0297	0.2363	0.2363
Brugia malayi	Cathepsin L-like precursor	0.0281	0.2163	0.2163
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.033	0.277	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0115	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1097	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0419	0.0419
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0281	0.2163	0.2114
Echinococcus granulosus	cysteine protease	0.0157	0.0599	0.054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Echinococcus multilocularis	cysteine protease	0.0281	0.2163	0.2114
Loa Loa (eye worm)	hypothetical protein	0.0281	0.2163	0.2163
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Trypanosoma cruzi	cysteine peptidase, putative	0.0281	0.2163	0.1663
Trypanosoma cruzi	cysteine peptidase, putative	0.0281	0.2163	0.1663
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0176	0.0837	0.1096
Echinococcus granulosus	cathepsin b	0.0903	1	1
Brugia malayi	eukaryotic initiation factor 4A	0.0176	0.0837	0.0837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0281	0.2163	0.2114
Echinococcus granulosus	cathepsin L cysteine protease	0.0157	0.0599	0.054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Brugia malayi	cathepsin L-like precursor	0.0197	0.1097	0.1097
Echinococcus granulosus	cathepsin L	0.0157	0.0599	0.054
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0297	0.2363	0.2363
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.033	0.277	0.277
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0157	0.0599	0.0599
Onchocerca volvulus		0.0281	0.2163	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0281	0.2163	1
Echinococcus granulosus	cathepsin l1	0.0281	0.2163	0.2114
Brugia malayi	Cathepsin L-like precursor	0.0197	0.1097	0.1097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Brugia malayi	Papain family cysteine protease containing protein	0.0281	0.2163	0.2163
Brugia malayi	Cathepsin L-like precursor	0.0281	0.2163	0.2163
Loa Loa (eye worm)	cathepsin B	0.033	0.277	0.277
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Echinococcus granulosus	cathepsin b	0.0903	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0281	0.2163	1
Brugia malayi	Papain family cysteine protease containing protein	0.0157	0.0599	0.0599
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0157	0.0599	0.0599
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0176	0.0837	0.1096
Loa Loa (eye worm)	hypothetical protein	0.0903	1	1
Echinococcus multilocularis	cathepsin b	0.0903	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0903	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0176	0.0837	0.1096
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0176	0.0837	0.078
Loa Loa (eye worm)	fibroinase	0.0281	0.2163	0.2163
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0297	0.2363	0.2363
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0281	0.2163	0.2114
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0281	0.2163	0.7202
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0176	0.0837	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1097	0.1097
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Leishmania major	cathepsin L-like protease	0.0281	0.2163	0.6858
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0903	1	1
Onchocerca volvulus		0.0281	0.2163	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0176	0.0837	0.0837
Echinococcus multilocularis	cathepsin L cysteine protease	0.0281	0.2163	0.2114
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0115	0.0063	0.0063
Loa Loa (eye worm)	cysteine protease	0.0281	0.2163	0.2163
Echinococcus multilocularis	cysteine protease	0.0281	0.2163	0.2114
Leishmania major	cathepsin L-like protease	0.0281	0.2163	0.6858
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0176	0.0837	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.033	0.277	1
Brugia malayi	Cathepsin L-like precursor	0.0281	0.2163	0.2163
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0176	0.0837	0.1096
Plasmodium vivax	vivapain-2	0.0281	0.2163	1
Leishmania major	cysteine peptidase A (CPA)	0.0281	0.2163	0.6858
Onchocerca volvulus		0.0281	0.2163	1
Entamoeba histolytica	cysteine proteinase, putative	0.0281	0.2163	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0281	0.2163	0.2114
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0281	0.2163	0.2163
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Echinococcus multilocularis	cathepsin L	0.0157	0.0599	0.054
Brugia malayi	Cathepsin L-like precursor	0.0197	0.1097	0.1097
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Onchocerca volvulus		0.0281	0.2163	1
Onchocerca volvulus		0.0281	0.2163	1
Loa Loa (eye worm)	hypothetical protein	0.0197	0.1097	0.1097
Entamoeba histolytica	cysteine proteinase, putative	0.0197	0.1097	0.3182
Leishmania major	cathepsin L-like protease	0.0281	0.2163	0.6858
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0197	0.1097	0.1097
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0176	0.0837	0.2398
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0197	0.1097	0.2292
Onchocerca volvulus		0.0281	0.2163	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Plasmodium vivax	vivapain-2	0.0281	0.2163	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Leishmania major	cathepsin L-like protease	0.0281	0.2163	0.6858
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Giardia lamblia	Cathepsin B precursor	0.033	0.277	1
Brugia malayi	Cathepsin L-like precursor	0.0281	0.2163	0.2163
Onchocerca volvulus	Cathepsin L homolog	0.0281	0.2163	1
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0419	0.0419
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0281	0.2163	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.0419	0.0419
Onchocerca volvulus		0.0281	0.2163	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.033	0.277	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0197	0.1097	0.1097
Brugia malayi	Trypsin family protein	0.0143	0.0419	0.0419
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0176	0.0837	0.0253
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.033	0.277	0.2309
Leishmania major	cathepsin L-like protease	0.0281	0.2163	0.6858
Schistosoma mansoni	cathepsin F (C01 family)	0.0281	0.2163	0.2163
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0281	0.2163	0.7202
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Loa Loa (eye worm)	ctsf protein	0.0281	0.2163	0.2163
Plasmodium vivax	RNA helicase-1, putative	0.0176	0.0837	0.1522
Entamoeba histolytica	cysteine protease, putative	0.0281	0.2163	1
Onchocerca volvulus		0.0197	0.1097	0.3887
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0903	1	1
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0176	0.0837	0.1522
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0176	0.0837	0.1522
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0903	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0903	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0281	0.2163	0.7202
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0281	0.2163	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0281	0.2163	0.1663
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0176	0.0837	0.078
Echinococcus multilocularis	cathepsin b	0.0903	1	1
Echinococcus granulosus	cathepsin l1	0.0197	0.1097	0.1041
Giardia lamblia	Cathepsin B precursor	0.033	0.277	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.0419	0.0419
Entamoeba histolytica	cysteine proteinase, putative	0.0281	0.2163	1
Brugia malayi	Papain family cysteine protease containing protein	0.0157	0.0599	0.0599
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0281	0.2163	0.7202
Trypanosoma cruzi	cysteine peptidase, putative	0.0281	0.2163	0.1663
Brugia malayi	Cathepsin L-like precursor	0.0281	0.2163	0.2163
Onchocerca volvulus	Cathepsin L homolog	0.0281	0.2163	1
Leishmania major	cathepsin L-like protease	0.0281	0.2163	0.6858
Giardia lamblia	Cathepsin B precursor	0.033	0.277	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0197	0.1097	0.0529
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0157	0.0599	0.0599
Brugia malayi	Cathepsin L-like precursor	0.0281	0.2163	0.2163
Treponema pallidum	ATP-dependent RNA helicase	0.0176	0.0837	0.5
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0837	0.0837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0197	0.1097	0.2292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0281	0.2163	0.7202
Echinococcus multilocularis	cathepsin L cysteine protease	0.0281	0.2163	0.2114
Leishmania major	cathepsin L-like protease	0.0281	0.2163	0.6858

Activities

Activity type	Activity value	Assay description	Source	Reference
Insulin-sensitizing activity (functional)	= 27 %	Percentage of rosiglitazone response for insulin-sensitizing activity at 1 microM concentration in 3T3-L1 cells	ChEMBL.	14505644
Insulin-sensitizing activity (functional)	= 27 %	Percentage of rosiglitazone response for insulin-sensitizing activity at 1 microM concentration in 3T3-L1 cells	ChEMBL.	14505644

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 201680