TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 312.36 | Formula: C19H20O4
H donors: 1 H acceptors: 2 LogP: 3.25 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COC1=C(C)C(=C2C(C1(C)C)OC(=CC2=O)c1ccccc1)O
InChi: 1S/C19H20O4/c1-11-16(21)15-13(20)10-14(12-8-6-5-7-9-12)23-18(15)19(2,3)17(11)22-4/h5-10,18,21H,1-4H3
InChiKey: OSLHBSYIDWHJJD-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)	RNA binding protein	0.0324	0.4074	0.4074
Loa Loa (eye worm)	hypothetical protein	0.0773	1	1
Brugia malayi	DIX domain containing protein	0.0036	0.0266	0.0266
Echinococcus multilocularis	segment polarity protein dishevelled	0.0036	0.0266	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0129	0.0129
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0036	0.0266	0.0652
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0026	0.0129	0.5
Echinococcus multilocularis	son of sevenless 1	0.0026	0.0129	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0732	0.9461	0.9461
Schistosoma mansoni	hypothetical protein	0.0244	0.302	0.4462
Loa Loa (eye worm)	DIX domain-containing protein	0.0036	0.0266	0.0266
Schistosoma mansoni	hypothetical protein	0.0244	0.302	0.4462
Echinococcus multilocularis	GPCR, family 2	0.0244	0.302	0.7414
Brugia malayi	TAR-binding protein	0.0324	0.4074	0.4074
Brugia malayi	RNA binding protein	0.0324	0.4074	0.4074
Echinococcus granulosus	rap guanine nucleotide exchange factor 6	0.0026	0.0129	0.0317
Schistosoma mansoni	hypothetical protein	0.0528	0.6769	1
Brugia malayi	RasGEF domain containing protein	0.0026	0.0129	0.0129
Echinococcus multilocularis	tar DNA binding protein	0.0324	0.4074	1
Brugia malayi	N-terminal motif family protein	0.0026	0.0129	0.0129
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0244	0.302	0.7414
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0026	0.0129	0.0191
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0036	0.0266	0.0652
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0026	0.0129	0.0129
Schistosoma mansoni	z-protein (S1r protein)	0.0036	0.0266	0.0392
Schistosoma mansoni	ras GTP exchange factor	0.0026	0.0129	0.0191
Brugia malayi	RNA recognition motif domain containing protein	0.0324	0.4074	0.4074
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Brugia malayi	hypothetical protein	0.0036	0.0266	0.0266
Echinococcus multilocularis	rap guanine nucleotide exchange factor 1	0.0026	0.0129	0.0317
Trypanosoma cruzi	hypothetical protein	0.0026	0.0129	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0036	0.0266	0.0266
Brugia malayi	hypothetical protein	0.0016	0.0003	0.0003
Echinococcus multilocularis	regulator of G protein signaling 7	0.0036	0.0266	0.0652
Leishmania major	hypothetical protein, conserved	0.0025	0.0119	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0036	0.0266	0.0652
Echinococcus granulosus	GPCR family 2	0.0244	0.302	0.7414
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0026	0.0129	0.0129
Schistosoma mansoni	hypothetical protein	0.0244	0.302	0.4462
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0732	0.9461	1
Echinococcus granulosus	tar DNA binding protein	0.0324	0.4074	1
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1939	0.1939
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4074	0.6018
Loa Loa (eye worm)	hypothetical protein	0.0244	0.302	0.302
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0119	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0244	0.302	0.302
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0244	0.302	0.7414
Trypanosoma cruzi	hypothetical protein	0.0026	0.0129	1
Echinococcus granulosus	son of sevenless 1	0.0026	0.0129	0.0317
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Schistosoma mansoni	dishevelled	0.0036	0.0266	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0266	0.0266
Loa Loa (eye worm)	MH2 domain-containing protein	0.0234	0.2877	0.2877
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0036	0.0266	0.0266
Schistosoma mansoni	regulator of G protein signaling	0.0036	0.0266	0.0392
Brugia malayi	N-terminal motif family protein	0.0026	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0528	0.6769	0.6769
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0773	1	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0036	0.0266	0.0392
Brugia malayi	hypothetical protein	0.0163	0.1939	0.1939
Echinococcus granulosus	rap guanine nucleotide exchange factor 1	0.0026	0.0129	0.0317
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4074	0.6018
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0119	0.5
Trypanosoma cruzi	guanine nucleotide releasing protein, putative	0.0026	0.0129	1
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4074	0.6018
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0324	0.4074	0.4074
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0026	0.0129	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0244	0.302	0.302
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0026	0.0129	0.0129
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4074	0.6018
Echinococcus granulosus	segment polarity protein dishevelled	0.0036	0.0266	0.0652
Brugia malayi	N-terminal motif family protein	0.0732	0.9461	0.9461
Schistosoma mansoni	dishevelled	0.0036	0.0266	0.0392
Schistosoma mansoni	dep domain containing protein	0.0036	0.0266	0.0392
Echinococcus multilocularis	segment polarity protein dishevelled	0.0036	0.0266	0.0652
Brugia malayi	RasGEF domain containing protein	0.0026	0.0129	0.0129
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0026	0.0129	0.0191
Echinococcus multilocularis	ras GTP exchange factor	0.0026	0.0129	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0266	0.0266
Brugia malayi	hypothetical protein	0.0036	0.0266	0.0266
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0244	0.302	0.7414
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Entamoeba histolytica	hypothetical protein	0.0026	0.0129	0.5
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0036	0.0266	0.0146
Echinococcus granulosus	regulator of G protein signaling 7	0.0036	0.0266	0.0652
Brugia malayi	regulator of G-protein signaling egl-10	0.0036	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0119	0.0119
Schistosoma mansoni	hypothetical protein	0.0244	0.302	0.4462
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0528	0.6769	0.6769
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0026	0.0129	0.0191
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Echinococcus multilocularis	regulator of G protein signaling 7	0.0036	0.0266	0.0652
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Echinococcus multilocularis	rap guanine nucleotide exchange factor 6	0.0026	0.0129	0.0317
Toxoplasma gondii	hypothetical protein	0.0036	0.0266	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0244	0.302	0.7414
Loa Loa (eye worm)	transcription factor SMAD2	0.0234	0.2877	0.2877
Echinococcus granulosus	Protein son of sevenless	0.0026	0.0129	0.0317
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0119	0.5
Brugia malayi	hypothetical protein	0.0025	0.0119	0.0119
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0129	0.0129
Loa Loa (eye worm)	TAR-binding protein	0.0324	0.4074	0.4074
Echinococcus granulosus	ras GTP exchange factor	0.0026	0.0129	0.0317
Echinococcus multilocularis	Protein son of sevenless	0.0026	0.0129	0.0317
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0026	0.0129	0.0191
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0773	1	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0119	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Brugia malayi	MH2 domain containing protein	0.0234	0.2877	0.2877
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0036	0.0266	0.0266
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4074	0.6018
Onchocerca volvulus		0.0036	0.0266	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Brugia malayi	RasGEF domain containing protein	0.0026	0.0129	0.0129
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0024	0.0112	0.0166
Onchocerca volvulus		0.0163	0.1939	0.1939
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0036	0.0266	0.0652
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0026	0.0129	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0244	0.302	0.302
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0026	0.0129	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 38.5 ug ml-1	Cytotoxicity against human KB cells by sulforhodamine B assay	ChEMBL.	18473435

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: CHEMBL454785

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 951779