TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.353 | Formula: C20H18O6
H donors: 0 H acceptors: 2 LogP: 3.29 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(OC)c(OC)ccc1c1cc2cc(C=O)cc(c2oc1=O)C
InChi: 1S/C20H18O6/c1-11-7-12(10-21)8-13-9-15(20(22)26-17(11)13)14-5-6-16(23-2)19(25-4)18(14)24-3/h5-10H,1-4H3
InChiKey: RMDCKXZGTNFAOK-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
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0713	0.2913	1
Echinococcus multilocularis	proteasome subunit alpha type 6	0.014	0.0103	0.0021
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0713	0.2913	1
Onchocerca volvulus	Netrin receptor homolog	0.0204	0.0415	1
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0343	0.1099	0.3594
Brugia malayi	proteasome subunit alpha type 1	0.014	0.0103	0.0354
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0713	0.2913	1
Echinococcus multilocularis	geminin	0.034	0.1081	0.1007
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.0082	0.0281
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0554	0.2133	0.7322
Echinococcus multilocularis	netrin receptor unc 5	0.0204	0.0415	0.0336
Echinococcus granulosus	proteasome subunit alpha type 6	0.014	0.0103	0.0021
Brugia malayi	proteasome subunit beta type 3	0.014	0.0103	0.0354
Giardia lamblia	Proteasome subunit beta type 1	0.0554	0.2133	0.7224
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0204	0.0415	0.1425
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0204	0.0415	0.0336
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0713	0.2913	1
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.014	0.0103	0.0075
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.2158	1	1
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0554	0.2133	0.7224
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0554	0.2133	0.2068
Echinococcus multilocularis	proteasome (prosome macropain) subunit beta type	0.014	0.0103	0.0021
Toxoplasma gondii	proteasome subunit beta type, putative	0.0713	0.2913	1
Brugia malayi	proteasome subunit beta type 1	0.0554	0.2133	0.7322
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0554	0.2133	0.7224
Schistosoma mansoni	hypothetical protein	0.0204	0.0415	0.1177
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.014	0.0103	0.0075
Echinococcus granulosus	Proteasome subunit alpha type 7	0.014	0.0103	0.0021
Brugia malayi	proteasome subunit beta type 2	0.0343	0.1099	0.3774
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0343	0.1099	0.3774
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.014	0.0103	0.0075
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0343	0.1099	0.3546
Brugia malayi	Protein kinase domain containing protein	0.0204	0.0415	0.1425
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0343	0.1099	0.3546
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.014	0.0103	0.0075
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.014	0.0103	0.0075
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.014	0.0103	0.0354
Echinococcus multilocularis	proteasome subunit alpha type 2	0.014	0.0103	0.0021
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.014	0.0103	0.0354
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0554	0.2133	0.7224
Loa Loa (eye worm)	hypothetical protein	0.0205	0.042	0.1441
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.014	0.0103	0.0075
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.0082	0.0281
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0343	0.1099	0.3546
Entamoeba histolytica	proteasome subunit beta type 1, putative	0.0554	0.2133	0.7224
Brugia malayi	Proteasome A-type and B-type family protein	0.014	0.0103	0.0354
Echinococcus granulosus	proteasome subunit beta type 7	0.014	0.0103	0.0021
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0343	0.1099	0.3546
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.014	0.0103	0.0075
Loa Loa (eye worm)	PAS-3 protein	0.014	0.0103	0.0354
Echinococcus multilocularis	proteasome (prosome macropain) subunit alpha	0.014	0.0103	0.0021
Brugia malayi	Integrin beta pat-3 precursor	0.0364	0.1201	0.4122
Echinococcus granulosus	subfamily T1A non peptidase ue	0.014	0.0103	0.0021
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.014	0.0103	0.0354
Echinococcus granulosus	proteasome subunit beta t family	0.014	0.0103	0.0021
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0343	0.1099	0.3546
Plasmodium falciparum	proteasome subunit beta type-5	0.0713	0.2913	1
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0713	0.2913	0.2854
Brugia malayi	proteasome subunit alpha type 6	0.014	0.0103	0.0354
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0204	0.0415	0.1425
Trypanosoma brucei	proteasome beta 6 subunit	0.0554	0.2133	0.7224
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.0554	0.2133	0.7224
Echinococcus granulosus	death domain containing protein	0.0204	0.0415	0.0336
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.014	0.0103	0.0075
Brugia malayi	Proteasome A-type and B-type family protein	0.014	0.0103	0.0354
Trypanosoma cruzi	20S proteasome subunit	0.0343	0.1099	0.3546
Schistosoma mansoni	netrin receptor unc5	0.0204	0.0415	0.1177
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.014	0.0103	0.0354
Brugia malayi	proteasome subunit alpha type 2	0.014	0.0103	0.0354
Echinococcus granulosus	proteasome subunit alpha type 2	0.014	0.0103	0.0021
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.014	0.0103	0.0075
Echinococcus multilocularis	Ankyrin	0.0205	0.042	0.0341
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.014	0.0103	0.0021
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.014	0.0103	0.0021
Echinococcus multilocularis	20S proteasome subunit alpha 6	0.014	0.0103	0.0021
Echinococcus granulosus	proteasome prosome macropain	0.0713	0.2913	0.2854
Echinococcus multilocularis	proteasome subunit beta type 6	0.014	0.0103	0.0021
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.014	0.0103	0.0075
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0343	0.1099	0.3546
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.014	0.0103	0.0354
Loa Loa (eye worm)	proteasome subunit beta type 3	0.014	0.0103	0.0354
Echinococcus multilocularis	proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta	0.014	0.0103	0.0021
Schistosoma mansoni	ankyrin 23/unc44	0.0204	0.0415	0.1177
Brugia malayi	Proteasome subunit alpha type 1	0.014	0.0103	0.0354
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.014	0.0103	0.0075
Schistosoma mansoni	hypothetical protein	0.034	0.1081	0.353
Echinococcus granulosus	geminin	0.034	0.1081	0.1007
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0713	0.2913	1
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.014	0.0103	0.0075
Echinococcus granulosus	Ankyrin	0.0205	0.042	0.0341
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0343	0.1099	0.1026
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.014	0.0103	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0415	0.1425
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0204	0.0415	0.0336
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0713	0.2913	1
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.014	0.0103	0.0354
Leishmania major	proteasome beta 5 subunit, putative	0.0713	0.2913	1
Giardia lamblia	Proteasome subunit beta type 2	0.0343	0.1099	0.3546
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0713	0.2913	1
Brugia malayi	Death domain containing protein	0.0204	0.0415	0.1425
Schistosoma mansoni	integrin beta subunit	0.0209	0.0443	0.1274
Echinococcus granulosus	20S proteasome subunit alpha 6	0.014	0.0103	0.0021
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0713	0.2913	1
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.0554	0.2133	0.7224
Echinococcus granulosus	integrin beta 2	0.0266	0.0723	0.0646
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.014	0.0103	0.0021
Brugia malayi	proteasome subunit alpha type 3	0.014	0.0103	0.0354
Brugia malayi	Proteasome A-type and B-type family protein	0.014	0.0103	0.0354
Echinococcus granulosus	proteasome subunit beta type 6	0.014	0.0103	0.0021
Echinococcus granulosus	proteasome prosome macropain subunit beta type	0.014	0.0103	0.0021
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0713	0.2913	1
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.014	0.0103	0.0075
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0554	0.2133	0.2068
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0816	0.3418	0.3363
Brugia malayi	proteasome subunit alpha type 4	0.014	0.0103	0.0354
Brugia malayi	Proteasome A-type and B-type family protein	0.0713	0.2913	1
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0713	0.2913	1
Leishmania major	proteasome beta 2 subunit, putative	0.0343	0.1099	0.3546
Brugia malayi	Proteasome subunit alpha type 7-1	0.014	0.0103	0.0354
Wolbachia endosymbiont of Brugia malayi	ATP-dependent protease peptidase subunit	0.014	0.0103	0.5
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0713	0.2913	1
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0343	0.1099	0.1026
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0343	0.1099	0.3546
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.014	0.0103	0.0354
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.0554	0.2133	0.7224
Echinococcus multilocularis	proteasome subunit beta type 7	0.014	0.0103	0.0021
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.014	0.0103	0.0354
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.014	0.0103	0.0075
Echinococcus multilocularis	Proteasome, subunit alpha beta	0.014	0.0103	0.0021
Plasmodium vivax	proteasome subunit beta type-1, putative	0.0554	0.2133	0.7224
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0205	0.042	0.1193
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0343	0.1099	0.3594
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0554	0.2133	0.7244
Brugia malayi	Uncoordinated protein 44	0.0204	0.0415	0.1425
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.014	0.0103	0.0354
Echinococcus multilocularis	subfamily T1A non peptidase ue	0.014	0.0103	0.0021
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0343	0.1099	0.3546
Echinococcus granulosus	proteasome prosome macropain subunit alpha	0.014	0.0103	0.0021
Schistosoma mansoni	hypothetical protein	0.034	0.1081	0.353
Echinococcus granulosus	Proteasome subunit alpha beta	0.014	0.0103	0.0021
Echinococcus granulosus	netrin receptor unc 5	0.0204	0.0415	0.0336
Echinococcus multilocularis	integrin beta 2	0.0266	0.0723	0.0646
Loa Loa (eye worm)	integrin beta-2	0.0364	0.1201	0.4122
Mycobacterium ulcerans	proteasome PrcB	0.0713	0.2913	1
Brugia malayi	20S proteasome alpha5 subunit	0.014	0.0103	0.0354

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 47.3 %	Antidepressant activity in Swiss albino mouse assessed as decrease in immobility duration at 0.5 mg/kg, ip administered 30 mins prior to test measured after 30 mins by tail suspension test (Rvb = 79.9%)	ChEMBL.	21377878

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: CHEMBL1760705

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 1528150