TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 383.438 | Formula: C22H25NO5
H donors: 2 H acceptors: 3 LogP: 3.13 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1O)CC(=O)NC/C(=C/Cc1ccccc1)/COC(=O)C
InChi: 1S/C22H25NO5/c1-16(24)28-15-19(9-8-17-6-4-3-5-7-17)14-23-22(26)13-18-10-11-20(25)21(12-18)27-2/h3-7,9-12,25H,8,13-15H2,1-2H3,(H,23,26)/b19-9-
InChiKey: QPWNWAFINCAXBZ-OCKHKDLRSA-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
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock 70 kDa protein 1	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Entamoeba histolytica	hypothetical protein	0.0004	0.0005	0.5
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0095	0.2643	1
Entamoeba histolytica	heat shock protein70, hsp70A2, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	Heat Shock protein family member (hsp 3)	0.0004	0.0005	1
Echinococcus granulosus	Heat Shock protein family member hsp 3	0.0004	0.0005	1
Entamoeba histolytica	heat shock protein 70, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	heat shock protein kDa heat shock kDa protein	0.0004	0.0005	1
Echinococcus multilocularis	Heat shock 70 kDa protein 4	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	Heat shock protein 70 (HSP70)	0.0004	0.0002	0.5008
Echinococcus granulosus	heat shock protein 70b	0.0004	0.0005	1
Leishmania major	telomerase reverse transcriptase, putative	0.0095	0.2643	1
Giardia lamblia	Telomerase catalytic subunit	0.0095	0.2643	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock kda protein	0.0004	0.0005	1
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0005	1
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	heat shock protein 70 related	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein kDa heat shock kDa protein	0.0004	0.0005	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0095	0.2643	1
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Trichomonas vaginalis	heat shock protein 70kD, putative	0.0004	0.0005	0.5
Trypanosoma brucei	telomerase reverse transcriptase	0.0095	0.2643	1
Echinococcus multilocularis	Heat shock 70 kDa protein 4	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	Heat shock 70 kDa protein 4	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70 related	0.0004	0.0005	1
Entamoeba histolytica	heat shock protein70, hsp70A2, putative	0.0004	0.0005	0.5
Echinococcus granulosus	Heat shock 70 kDa protein 4	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Loa Loa (eye worm)	heat shock 70kDa protein 5	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Schistosoma mansoni	heat shock protein 70	0.0004	0.0005	1
Entamoeba histolytica	heat shock protein 70, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	heat shock protein 70b	0.0004	0.0005	1
Echinococcus multilocularis	Heat shock 70 kDa protein	0.0004	0.0005	1
Entamoeba histolytica	70 kDa heat shock protein, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	Heat shock 70 kDa protein	0.0004	0.0005	1
Trichomonas vaginalis	microsomal stress 70 protein ATPase core precursor, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	Heat shock 70 kDa protein	0.0004	0.0005	1
Entamoeba histolytica	heat shock protein70, hsp70A2, putative	0.0004	0.0005	0.5
Trichomonas vaginalis	heat shock protein 70 (HSP70)-4, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Entamoeba histolytica	heat shock protein 70 family	0.0004	0.0005	0.5
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock kda protein	0.0004	0.0005	1
Echinococcus granulosus	Heat shock 70 kDa protein	0.0004	0.0005	1
Echinococcus granulosus	Heat shock 70 kDa protein 4	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 71 kDa protein	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein	0.0004	0.0005	1
Entamoeba histolytica	heat shock protein 70, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	heat shock 70 kDa protein 1A:1B	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Brugia malayi	heat shock 70 kDa protein C precursor	0.0004	0.0005	0.0006
Trichomonas vaginalis	heat shock protein 70 (HSP70)-4, putative	0.0004	0.0005	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	heat shock protein 70 related	0.0004	0.0002	0.5008
Echinococcus granulosus	Heat shock 70 kDa protein	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Schistosoma mansoni	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 71 kDa protein	0.0004	0.0005	1
Echinococcus multilocularis	Heat shock 70 kDa protein	0.0004	0.0005	1
Toxoplasma gondii	RNA-directed DNA polymerase	0.0095	0.2643	1
Plasmodium falciparum	telomerase reverse transcriptase	0.0095	0.2643	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	heat shock protein 71 kDa protein	0.0004	0.0005	1
Echinococcus multilocularis		0.0004	0.0005	1
Entamoeba histolytica	heat shock protein70, hsp70A2, putative	0.0004	0.0005	0.5
Echinococcus multilocularis	Heat shock 70 kDa protein 4	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Brugia malayi	Telomerase reverse transcriptase	0.0254	0.7235	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0095	0.2643	1
Trichomonas vaginalis	heat shock protein 70kD, putative	0.0004	0.0005	0.5
Trichomonas vaginalis	heat shock protein 70 (HSP70)-4, putative	0.0004	0.0005	0.5
Schistosoma mansoni	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock 70 kda protein 1a	0.0004	0.0005	1
Brugia malayi	heat shock 70 kDa protein	0.0004	0.0005	0.0006
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Entamoeba histolytica	heat shock protein 70 family	0.0004	0.0005	0.5
Echinococcus multilocularis	heat shock protein 70 related	0.0004	0.0005	1
Echinococcus multilocularis		0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis		0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Entamoeba histolytica	heat shock protein 70, putative	0.0004	0.0005	0.5
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	Heat shock 70 kDa protein	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	3'partial\|5'partial\|heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 71 kDa protein	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	heat shock protein 70	0.0004	0.0002	0.5008
Echinococcus granulosus	heat shock protein kDa	0.0004	0.0005	1
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus multilocularis	Heat shock 70 kDa protein	0.0004	0.0005	1
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Trichomonas vaginalis	heat shock protein, putative	0.0004	0.0005	0.5
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	heat shock protein 70	0.0004	0.0005	1
Echinococcus granulosus	Heat shock 70 kDa protein 4	0.0004	0.0005	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Cation influx (functional)		Cation influx relative to capsaicin (CAP) in cultured neonatal rat dorsal root ganglia (W = Weaker than CAP)	ChEMBL.	10571146
Cation influx (functional)	0	Cation influx relative to capsaicin (CAP) in cultured neonatal rat dorsal root ganglia (W = Weaker than CAP)	ChEMBL.	10571146
Ki (binding)	= 29.2 uM	In vitro binding affinity towards vanilloid receptor by [3H]-RTX displacement.	ChEMBL.	10571146
Ki (binding)	= 29.2 uM	In vitro binding affinity towards vanilloid receptor by [3H]-RTX displacement.	ChEMBL.	10571146

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: CHEMBL316720

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 164306