TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 305.327 | Formula: C19H15NO3
H donors: 1 H acceptors: 3 LogP: 3.99 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1/C=C/c1ccc2c(n1)c(ccc2)C(=O)O
InChi: 1S/C19H15NO3/c1-23-17-8-3-2-5-13(17)9-11-15-12-10-14-6-4-7-16(19(21)22)18(14)20-15/h2-12H,1H3,(H,21,22)/b11-9+
InChiKey: XFQFDWBBIMCVCM-PKNBQFBNSA-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
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.1782	0.2129
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.1782	0.2129
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0216	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0235	0.0235
Brugia malayi	Probable ClpP-like protease	0.0077	0.3086	0.3086
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0067	0.2599	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.3086	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.3086	0.2919
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0067	0.2599	0.2421
Brugia malayi	intermediate filament protein	0.0026	0.0606	0.0606
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.3086	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0216	1	1
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.015	0.6702	1
Echinococcus granulosus	lamin	0.0026	0.0606	0.0511
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.3086	0.2919
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0582	0.0582
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0606	0.0511
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.3086	0.3923
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0606	0.0606
Echinococcus multilocularis	lamin dm0	0.0026	0.0606	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0077	0.3086	0.3086
Schistosoma mansoni	hypothetical protein	0.0166	0.7502	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.1782	0.4744
Echinococcus multilocularis	lamin	0.0026	0.0606	0.0511
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.3086	0.3923
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0606	0.0606
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0216	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.3086	1
Leishmania major	hypothetical protein, conserved	0.0067	0.2599	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.3086	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0606	0.0606
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.3086	0.5
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.1782	0.2392
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0216	1	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.3086	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.1782	0.2392
Trypanosoma cruzi	hypothetical protein, conserved	0.0067	0.2599	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0216	1	1
Schistosoma mansoni	lamin	0.0026	0.0606	0.0511
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.3086	0.3923
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.3086	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0235	0.0235
Echinococcus granulosus	geminin	0.0166	0.7502	1
Schistosoma mansoni	hypothetical protein	0.0166	0.7502	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0606	0.0606
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0235	0.0235
Schistosoma mansoni	lamin	0.0026	0.0606	0.0511
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0216	1	1
Onchocerca volvulus		0.0216	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0067	0.2599	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0216	1	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.3086	1
Echinococcus granulosus	lamin dm0	0.0026	0.0606	0.0511
Echinococcus multilocularis	geminin	0.0166	0.7502	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0216	1	1
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0216	1	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0067	0.2599	0.2421
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.3086	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0216	1	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0216	1	1
Echinococcus multilocularis	musashi	0.0026	0.0606	0.0511
Echinococcus granulosus	intermediate filament protein	0.0026	0.0606	0.0511

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0	Inhibition of photosynthesis in spinach chloroplast	ChEMBL.	17142046
IC50 (functional)	0	Inhibition of Chlorella vulgaris Beij assessed as reduction of chlorophyll content	ChEMBL.	17142046
log K	= 1.1922	Lipophilicity, log K of the compound	ChEMBL.	17142046

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: CHEMBL241906

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 435664