TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 264.318 | Formula: C18H16O2
H donors: 0 H acceptors: 1 LogP: 4.06 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1C=C1CCc2c(C1=O)cccc2
InChi: 1S/C18H16O2/c1-20-17-9-5-3-7-14(17)12-15-11-10-13-6-2-4-8-16(13)18(15)19/h2-9,12H,10-11H2,1H3
InChiKey: FLTXETIZXYAOLF-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	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196

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)	hypothetical protein	0.0019	0.0081	0.0149
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0562	0.5487	1
Schistosoma mansoni	RNA binding protein	0.02	0.1882	0.343
Loa Loa (eye worm)	brahma associated protein	0.0562	0.5487	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0562	0.5487	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0081	0.0149
Echinococcus granulosus	Zinc finger RanBP2 type	0.02	0.1882	0.1882
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.02	0.1882	0.1882
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0562	0.5487	0.5487
Onchocerca volvulus		0.0562	0.5487	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0081	0.0149
Brugia malayi	YY1-associated factor 2	0.02	0.1882	0.343
Schistosoma mansoni	hypothetical protein	0.0043	0.0324	0.0591
Entamoeba histolytica	hypothetical protein	0.0043	0.0324	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0081	0.0149
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0299	0.0545
Brugia malayi	hypothetical protein	0.0043	0.0324	0.0591
Echinococcus multilocularis	tumor protein p63	0.1016	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0013	0.0023
Echinococcus multilocularis	SWI:SNF matrix associated	0.0562	0.5487	0.5487
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0081	0.0149
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0265	0.0483
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0013	0.0023
Leishmania major	hypothetical protein, conserved	0.02	0.1882	1
Plasmodium vivax	hypothetical protein, conserved	0.0562	0.5487	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0012	0.0013	0.5
Onchocerca volvulus		0.02	0.1882	0.1241
Echinococcus multilocularis	zinc finger protein Ran binding	0.02	0.1882	0.1882
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.0265	0.0483
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0491	0.0895
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.02	0.1882	1
Schistosoma mansoni	hypothetical protein	0.02	0.1882	0.343
Schistosoma mansoni	cellular tumor antigen P53	0.0149	0.1371	0.25
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0324	0.0591
Trypanosoma cruzi	hypothetical protein, conserved	0.02	0.1882	1
Echinococcus granulosus	zinc finger protein Ran binding	0.02	0.1882	0.1882
Trypanosoma cruzi	hypothetical protein, conserved	0.02	0.1882	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0324	0.5
Loa Loa (eye worm)	hypothetical protein	0.02	0.1882	0.343
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.02	0.1882	0.1241
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0081	0.0149
Loa Loa (eye worm)	hypothetical protein	0.02	0.1882	0.343
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.02	0.1882	0.343
Echinococcus granulosus	ring and YY1 binding protein	0.02	0.1882	0.1882
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.02	0.1882	0.1882
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0324	0.0324
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.02	0.1882	1
Schistosoma mansoni	fusion	0.02	0.1882	0.343
Onchocerca volvulus		0.02	0.1882	0.1241
Schistosoma mansoni	zinc finger protein	0.02	0.1882	0.343
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.0265	0.0265
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0081	0.0081
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0081	0.0081
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0562	0.5487	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0324	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0081	0.0149
Echinococcus multilocularis	ring and YY1 binding protein	0.02	0.1882	0.1882
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.0265	0.0265
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.02	0.1882	0.1882
Schistosoma mansoni	brg-1 associated factor	0.0562	0.5487	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0324	0.0324
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.02	0.1882	0.343
Trypanosoma cruzi	WLM domain containing protein, putative	0.02	0.1882	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0081	0.0081
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.02	0.1882	0.343
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.02	0.1882	1
Brugia malayi	brahma associated protein 60 kDa	0.0562	0.5487	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0324	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0012	0.0013	0.0023
Leishmania major	hypothetical protein, conserved	0.02	0.1882	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.1882	0.343
Echinococcus granulosus	GPCR family 2	0.0019	0.0081	0.0081
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0299	0.0545
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0562	0.5487	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.1882	0.343
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0216	0.0393
Trypanosoma cruzi	hypothetical protein, conserved	0.02	0.1882	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0301	0.0549
Onchocerca volvulus		0.02	0.1882	0.1241
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.02	0.1882	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0562	0.5487	1
Chlamydia trachomatis	DNA topoisomerase I	0.0562	0.5487	0.5
Schistosoma mansoni	hypothetical protein	0.0562	0.5487	1
Leishmania major	hypothetical protein, conserved	0.02	0.1882	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0081	0.0149
Leishmania major	hypothetical protein, conserved	0.02	0.1882	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0562	0.5487	0.5487
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0562	0.5487	1
Schistosoma mansoni	hypothetical protein	0.0562	0.5487	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0562	0.5487	0.5487
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0301	0.0549
Schistosoma mansoni	hypothetical protein	0.0041	0.0301	0.0549
Brugia malayi	brahma associated protein 60 kDa	0.0562	0.5487	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0562	0.5487	0.5487
Leishmania major	hypothetical protein, conserved	0.02	0.1882	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0081	0.0081
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0491	0.0895
Loa Loa (eye worm)	hypothetical protein	0.006	0.0491	0.0895
Onchocerca volvulus		0.02	0.1882	0.1241
Echinococcus granulosus	SWI:SNF matrix associated	0.0562	0.5487	0.5487
Schistosoma mansoni	TRABID protein (C64 family)	0.02	0.1882	0.343
Loa Loa (eye worm)	hypothetical protein	0.02	0.1882	0.343
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.02	0.1882	0.343
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0013	0.0023
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.02	0.1882	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0013	0.0023
Trypanosoma cruzi	WLM domain containing protein, putative	0.02	0.1882	1
Chlamydia trachomatis	SWIB complex protein	0.0562	0.5487	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0562	0.5487	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.02	0.1882	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0081	0.0081
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0491	0.0895
Trypanosoma brucei	hypothetical protein, conserved	0.02	0.1882	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.1371	0.25
Trypanosoma brucei	hypothetical protein, conserved	0.02	0.1882	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.02	0.1882	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0562	0.5487	1
Schistosoma mansoni	hypothetical protein	0.0562	0.5487	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 67.488 uM	PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for inhibitors of the orphan nuclear receptor subfamily 0, group B, member 1 (DAX1; NR0B1): repression of SF-1 (NR5A1) activated StAR promoter by full-length DAX-1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference

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: CHEMBL1878855

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 1550817