TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 288.34 | Formula: C20H16O2
H donors: 0 H acceptors: 1 LogP: 4.53 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C/C=C/c1cccc(c1)OCc1cccc2c1cccc2
InChi: 1S/C20H16O2/c21-13-5-7-16-6-3-11-19(14-16)22-15-18-10-4-9-17-8-1-2-12-20(17)18/h1-14H,15H2/b7-5+
InChiKey: KXHWUGBARFNWRV-FNORWQNLSA-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
Brugia malayi	ecdysteroid receptor	0.0082	0.0633	0.0789
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0116	0.1123	0.1123
Onchocerca volvulus		0.0106	0.0981	0.17
Schistosoma mansoni	single-minded	0.006	0.0305	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1734	0.2163
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0158	0.1734	0.1734
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0211	0.0211
Loa Loa (eye worm)	glutaminase	0.0586	0.7982	0.9956
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0633	0.0789
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0043	0.0068	0.0085
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0082	0.0633	0.0633
Onchocerca volvulus		0.0082	0.0633	0.1096
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.013	0.1324	0.1659
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0304	0.0304
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0554	0.5
Loa Loa (eye worm)	hypothetical protein	0.0435	0.5773	0.72
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0082	0.0633	0.0789
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0082	0.0633	0.0633
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0082	0.0633	0.0633
Schistosoma mansoni	aryl hydrocarbon receptor	0.0173	0.1958	0.2453
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0211	0.0211
Brugia malayi	PAS domain containing protein	0.006	0.0305	0.038
Brugia malayi	photoreceptor-specific nuclear receptor	0.0082	0.0633	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1088	0.1357
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0082	0.0633	0.0633
Brugia malayi	small heat shock protein	0.0589	0.8018	1
Schistosoma mansoni	glutaminase	0.0586	0.7982	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0227	0.2749	0.3429
Echinococcus multilocularis	FTZ F1 alpha	0.0082	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0633	0.0789
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0082	0.0633	0.0793
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0252	0.3107	0.3107
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0211	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0554	0.0691
Brugia malayi	hypothetical protein	0.0043	0.0068	0.0085
Schistosoma mansoni	thyroid hormone receptor	0.0334	0.4305	0.5393
Brugia malayi	steroid hormone receptor	0.0082	0.0633	0.0789
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0484	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0068	0.0085
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0304	0.0285
Echinococcus granulosus	ecdysone induced protein 78C	0.0082	0.0633	0.0633
Schistosoma mansoni	lipoxygenase	0.0116	0.1123	0.1406
Echinococcus multilocularis	transfer RNA-Lys	0.0044	0.0079	0.0079
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0082	0.0633	0.0789
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0082	0.0633	0.1096
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0211	0.0211
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0082	0.0633	0.0633
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0082	0.0633	0.0789
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0082	0.0633	0.0789
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0484	0.0484
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0554	0.0601
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0082	0.0633	0.0789
Brugia malayi	nuclear receptor RXR	0.0043	0.0068	0.0085
Schistosoma mansoni	lipoxygenase	0.0081	0.0615	0.077
Echinococcus granulosus	single minded 2	0.0044	0.0079	0.0079
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0082	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0981	0.1224
Echinococcus multilocularis	ecdysone induced protein 78C	0.0082	0.0633	0.0633
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0082	0.0633	0.0789
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0304	0.0381
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.013	0.1324	0.1324
Schistosoma mansoni	RAR-like nuclear receptor	0.0082	0.0633	0.0793
Loa Loa (eye worm)	steroid hormone receptor	0.0082	0.0633	0.0789
Schistosoma mansoni	hypothetical protein	0.0072	0.0484	0.0607
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0554	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.013	0.1324	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0082	0.0633	0.0793
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0116	0.1123	0.1123
Loa Loa (eye worm)	glutaminase 2	0.0586	0.7982	0.9956
Brugia malayi	hypothetical protein	0.0435	0.5773	0.72
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0082	0.0633	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1307	0.163
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0082	0.0633	0.0793
Onchocerca volvulus	Bile acid receptor homolog	0.0082	0.0633	0.1096
Onchocerca volvulus		0.0128	0.1307	0.2264
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0082	0.0633	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0633	0.0789
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0082	0.0633	0.0789
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0484	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0068	0.0085
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0113	0.1081	0.1348
Brugia malayi	RhoGAP domain containing protein	0.0136	0.1419	0.177
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0304	0.0381
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0304	0.0304
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0554	0.5
Trichomonas vaginalis	glutaminase, putative	0.0586	0.7982	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0082	0.0633	0.0793
Brugia malayi	hypothetical protein	0.0072	0.0484	0.0604
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0082	0.0633	0.0789
Brugia malayi	Probable ClpP-like protease	0.0077	0.0554	0.0691
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0554	1
Giardia lamblia	Rho GAP, putative	0.0136	0.1419	0.5
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0633	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0633	0.0789
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0082	0.0633	0.0633
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0082	0.0633	0.0633
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0554	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0633	0.0789
Schistosoma mansoni	retinoic acid receptor RXR	0.0082	0.0633	0.0793
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.013	0.1324	0.5
Echinococcus granulosus	aryl hydrocarbon receptor	0.0129	0.1314	0.1314
Onchocerca volvulus		0.0435	0.5773	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0211	0.0264
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.0554	1
Schistosoma mansoni	hypothetical protein	0.0252	0.3107	0.3892
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.013	0.1324	0.1651
Brugia malayi	glutaminase DH11.1	0.0586	0.7982	0.9956
Brugia malayi	bHLH-PAS transcription factor	0.0044	0.0079	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0589	0.8018	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.0554	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0082	0.0633	0.0633
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0168	0.0168
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0082	0.0633	0.0633
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0068	0.0085
Echinococcus multilocularis	Protein lozenge	0.0055	0.023	0.023
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0082	0.0633	0.0789
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0082	0.0633	0.0789
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0082	0.0633	0.0789
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0068	0.0085
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0334	0.4305	0.4305
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0211	0.0263
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0043	0.0068	0.0068
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0129	0.1314	0.1314
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0068	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0633	0.0789
Schistosoma mansoni	cellular tumor antigen P53	0.0106	0.0981	0.1229
Echinococcus granulosus	transcription factor Dp 1	0.0075	0.0528	0.0528
Echinococcus granulosus	FTZ F1 alpha	0.0082	0.0633	0.0633
Mycobacterium ulcerans	glutaminase	0.0586	0.7982	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0082	0.0633	0.0789
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0043	0.0068	0.0085
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0304	0.0285
Schistosoma mansoni	thyroid hormone receptor	0.0334	0.4305	0.5393
Loa Loa (eye worm)	hypothetical protein	0.0435	0.5773	0.72
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1419	0.177
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0082	0.0633	0.0789
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0211	0.0211
Brugia malayi	Steroid receptor seven-up type 2	0.0082	0.0633	0.0789
Schistosoma mansoni	rac gtpase activating protein	0.0158	0.1734	0.2173
Loa Loa (eye worm)	runx1	0.0055	0.023	0.0287
Brugia malayi	RhoGAP domain containing protein	0.0158	0.1734	0.2163
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.013	0.1324	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0304	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0211	0.0264
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0211	0.0264
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0082	0.0633	0.0789
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0082	0.0633	0.0633
Schistosoma mansoni	nuclear hormone receptor	0.0082	0.0633	0.0793
Brugia malayi	follicle stimulating hormone receptor	0.0227	0.2749	0.3429
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0043	0.0068	0.0068
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.013	0.1324	0.1324
Schistosoma mansoni	lozenge	0.0055	0.023	0.0288
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.013	0.1324	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.0554	0.0694
Brugia malayi	nuclear receptor NHR-88	0.0082	0.0633	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0633	0.0789
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.013	0.1324	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0252	0.3107	0.3107
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.0554	0.0554
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0082	0.0633	0.0793
Echinococcus multilocularis	tumor protein p63	0.0724	1	1
Schistosoma mansoni	coup transcription factor	0.0082	0.0633	0.0793
Echinococcus multilocularis	transcription factor Dp 1	0.0075	0.0528	0.0528
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0082	0.0633	0.0789
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.0554	0.0554
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0043	0.0068	0.0085
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0082	0.0633	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1081	0.1348
Brugia malayi	hypothetical protein	0.0043	0.0068	0.0085
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.013	0.1324	0.1651
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0082	0.0633	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0068	0.0085
Echinococcus granulosus	Rac GTPase activating protein 1	0.0158	0.1734	0.1734
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0068	0.0085
Brugia malayi	Nuclear hormone receptor-like 1	0.0082	0.0633	0.0789
Brugia malayi	nuclear hormone receptor	0.0082	0.0633	0.0789
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0082	0.0633	0.0789
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0082	0.0633	0.0789
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0082	0.0633	0.0633
Onchocerca volvulus	Protein ultraspiracle homolog	0.0082	0.0633	0.1096
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0554	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0554	0.5
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0554	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0304	0.0285
Onchocerca volvulus		0.0045	0.0086	0.015
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0082	0.0633	0.0793
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0082	0.0633	0.0793

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 85 %	Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4	ChEMBL.	10969976
Inhibition (binding)	= 85 %	Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4	ChEMBL.	10969976

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

No external resources registered for this compound

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 78801