TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 388.499 | Formula: C26H28O3
H donors: 1 H acceptors: 2 LogP: 6.27 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCc1ccccc1CCCc1cc(C)ccc1OCc1ccccc1
InChi: 1S/C26H28O3/c1-20-14-16-25(29-19-21-8-3-2-4-9-21)24(18-20)13-7-12-22-10-5-6-11-23(22)15-17-26(27)28/h2-6,8-11,14,16,18H,7,12-13,15,17,19H2,1H3,(H,27,28)
InChiKey: FAXIRNNCCHWLOH-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	prostaglandin E receptor 4 (subtype EP4)	Starlite/ChEMBL	References
Homo sapiens	prostaglandin E receptor 3 (subtype EP3)	Starlite/ChEMBL	References
Homo sapiens	prostaglandin E receptor 2 (subtype EP2), 53kDa	Starlite/ChEMBL	References

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
Onchocerca volvulus		0.0048	0.1026	1
Brugia malayi	Cathepsin L-like precursor	0.0048	0.1026	0.1026
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798
Echinococcus granulosus	survival motor neuron protein 1	0.0236	1	1
Onchocerca volvulus		0.0048	0.1026	1
Onchocerca volvulus		0.0048	0.1026	1
Loa Loa (eye worm)	cathepsin B	0.0053	0.1267	0.0972
Echinococcus multilocularis	cysteine protease	0.0048	0.1026	0.1026
Echinococcus granulosus	cathepsin l1	0.0034	0.0327	0.0327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0146	0.5708	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0327	0.0327
Schistosoma mansoni	hypothetical protein	0.0048	0.1015	0.1778
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.5658	0.9913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Loa Loa (eye worm)	hypothetical protein	0.0145	0.5658	0.5512
Brugia malayi	Papain family cysteine protease containing protein	0.0048	0.1026	0.1026
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0048	0.1026	0.1026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0146	0.5708	0.5563
Leishmania major	cathepsin L-like protease	0.0048	0.1026	0.0846
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0327	0.0572
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.0327	0.0572
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Brugia malayi	Cathepsin L-like precursor	0.0048	0.1026	0.1026
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.5658	0.9913
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0048	0.1026	0.1026
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0039	0.0593	0.104
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0034	0.0327	0.0327
Echinococcus multilocularis	cathepsin b	0.0145	0.5658	0.5658
Leishmania major	proteasome beta 5 subunit, putative	0.0146	0.5708	1
Toxoplasma gondii	proteasome subunit beta type, putative	0.0146	0.5708	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.1026	0.1798
Entamoeba histolytica	cysteine proteinase, putative	0.0048	0.1026	0.1798
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Giardia lamblia	Cathepsin B precursor	0.0053	0.1267	0.1316
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0053	0.1267	0.2219
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0146	0.5708	1
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0039	0.0593	0.104
Echinococcus granulosus	cathepsin b	0.0145	0.5658	0.5658
Brugia malayi	proteasome subunit beta type 2	0.0039	0.0593	0.0593
Brugia malayi	cathepsin L-like precursor	0.0034	0.0327	0.0327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.5658	0.9913
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0146	0.5708	0.5
Echinococcus multilocularis	cathepsin b	0.0145	0.5658	0.5658
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0048	0.1026	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0048	0.1026	0.0723
Onchocerca volvulus		0.0048	0.1026	1
Onchocerca volvulus	Cathepsin F homolog	0.0048	0.1026	1
Loa Loa (eye worm)	fibroinase	0.0048	0.1026	0.0723
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0048	0.1026	0.1798
Giardia lamblia	Cathepsin B precursor	0.0053	0.1267	0.1316
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0039	0.0593	0.104
Leishmania major	cysteine peptidase A (CPA)	0.0048	0.1026	0.0846
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0039	0.0593	0.0276
Brugia malayi	Cathepsin L-like precursor	0.0048	0.1026	0.1026
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0039	0.0593	0.104
Onchocerca volvulus		0.0048	0.1026	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0048	0.1026	0.0723
Trypanosoma cruzi	cruzipain precursor, putative	0.0048	0.1026	0.1798
Schistosoma mansoni	cathepsin F (C01 family)	0.0048	0.1026	0.1798
Mycobacterium ulcerans	proteasome PrcB	0.0146	0.5708	0.5
Leishmania major	cathepsin L-like protease	0.0048	0.1026	0.0846
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0146	0.5708	1
Onchocerca volvulus		0.0048	0.1015	0.9842
Plasmodium falciparum	proteasome subunit beta type-5	0.0146	0.5708	1
Loa Loa (eye worm)	hypothetical protein	0.0236	1	1
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0327	0.0327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0039	0.0593	0.0593
Leishmania major	cathepsin L-like protease	0.0048	0.1026	0.0846
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0039	0.0593	0.104
Echinococcus granulosus	proteasome prosome macropain	0.0146	0.5708	0.5708
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0053	0.1267	0.2219
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0146	0.5708	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0053	0.1267	0.2219
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0048	0.1026	0.1026
Leishmania major	cathepsin L-like protease	0.0048	0.1026	0.0846
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0146	0.5708	1
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0039	0.0593	0.104
Echinococcus granulosus	cathepsin b	0.0145	0.5658	0.5658
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1026	0.0723
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0048	0.1026	0.1798
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0145	0.5658	0.9913
Brugia malayi	Cathepsin L-like precursor	0.0048	0.1026	0.1026
Leishmania major	cathepsin L-like protease	0.0048	0.1026	0.0846
Onchocerca volvulus	Cathepsin L homolog	0.0048	0.1026	1
Leishmania major	cathepsin L-like protease	0.0048	0.1026	0.0846
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.1026	0.1798
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0146	0.5708	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0039	0.0593	0.104
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.1026	0.1798
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0039	0.0593	0.104
Leishmania major	cathepsin L-like protease	0.0048	0.1026	0.0846
Leishmania major	cathepsin L-like protease	0.0048	0.1026	0.0846
Echinococcus granulosus	cathepsin l1	0.0048	0.1026	0.1026
Brugia malayi	Cathepsin L-like precursor	0.0048	0.1026	0.1026
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0048	0.1026	0.1798
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0053	0.1267	0.2219
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0034	0.0327	0.0572
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.1015	0.1015
Entamoeba histolytica	cysteine proteinase, putative	0.0048	0.1026	0.1798
Toxoplasma gondii	cathepsin B	0.0053	0.1267	0.1316
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0146	0.5708	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0053	0.1267	0.1316
Onchocerca volvulus		0.0048	0.1026	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0048	0.1026	0.1026
Trypanosoma cruzi	20S proteasome subunit	0.0039	0.0593	0.104
Schistosoma mansoni	cathepsin F (C01 family)	0.0048	0.1026	0.1798
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0146	0.5708	0.5708
Plasmodium vivax	vivapain-2	0.0048	0.1026	0.1798
Brugia malayi	Proteasome A-type and B-type family protein	0.0146	0.5708	0.5708
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0039	0.0593	0.104
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0146	0.5708	1
Loa Loa (eye worm)	ctsf protein	0.0048	0.1026	0.0723
Schistosoma mansoni	survival motor neuron protein	0.0048	0.1015	0.1778
Loa Loa (eye worm)	cysteine protease	0.0048	0.1026	0.0723
Brugia malayi	Cathepsin L-like precursor	0.0048	0.1026	0.1026
Onchocerca volvulus		0.0048	0.1026	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0039	0.0593	0.0593
Echinococcus multilocularis	cysteine protease	0.0048	0.1026	0.1026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0327	0.0572
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0145	0.5658	0.9913
Echinococcus multilocularis	cathepsin L cysteine protease	0.0048	0.1026	0.1026
Giardia lamblia	Cathepsin B precursor	0.0053	0.1267	0.1316
Plasmodium vivax	vivapain-2	0.0048	0.1026	0.1798
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0146	0.5708	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0048	0.1026	0.1026
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.1026	0.1798
Entamoeba histolytica	cysteine protease, putative	0.0048	0.1026	0.1798
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0327	0.0572
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.1026	0.1798
Toxoplasma gondii	cathepsin CPL	0.0048	0.1026	0.0846
Brugia malayi	cathepsin B-like cysteine proteinase	0.0145	0.5658	0.5658
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.1026	0.1798

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.065 uM	Binding affinity to EP3 receptor	ChEMBL.	16931013
Ki (binding)	= 0.44 uM	Binding affinity to EP4 receptor	ChEMBL.	16931013
Ki (binding)	= 0.94 uM	Binding affinity to EP2 receptor	ChEMBL.	16931013
Ki (binding)	= 23 uM	Binding affinity to EP1 receptor	ChEMBL.	16931013
Ki (binding)	= 23 uM	Binding affinity to EP1 receptor	ChEMBL.	16931013

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: CHEMBL220820

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 412121