TDR Targets

Basic information

Technical information

TDR Targets ID: 1626852
Name: (2R)-5,6-dihydroxy-9-methyl-2-prop-1-en-2-yl- 1,2,3,4-tetrahydrobenzo[7]annulen-7-one
MW: 246.302 | Formula: C15H18O3
H donors: 2 H acceptors: 3 LogP: 2.68 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CC(=C)[C@@H]1CCc2c(C1)c(C)cc(c(=O)c2O)O
InChi: 1S/C15H18O3/c1-8(2)10-4-5-11-12(7-10)9(3)6-13(16)15(18)14(11)17/h6,10H,1,4-5,7H2,2-3H3,(H2,16,17,18)/t10-/m1/s1
InChiKey: XZCVMNQLRNHDOD-SNVBAGLBSA-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

(2R)-5,6-dihydroxy-2-isopropenyl-9-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-7-one

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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0117	0.0083
Echinococcus granulosus	thyroid hormone receptor alpha	0.0361	0.1894	0.4489
Schistosoma mansoni	hypothetical protein	0.0053	0.0154	0.0121
Echinococcus granulosus	FTZ F1 alpha	0.0766	0.4177	1
Schistosoma mansoni	nuclear hormone receptor	0.0361	0.1894	0.1866
Schistosoma mansoni	nuclear hormone receptor	0.0361	0.1894	0.1866
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0766	0.4177	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0766	0.4177	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0766	0.4177	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0766	0.4177	1
Brugia malayi	Nuclear hormone receptor E75	0.0361	0.1894	0.4489
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0049	0.0134	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0766	0.4177	1
Echinococcus granulosus	geminin	0.0172	0.0824	0.1907
Schistosoma mansoni	RAR-like nuclear receptor	0.0766	0.4177	0.4157
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0766	0.4177	0.4157
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0766	0.4177	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0766	0.4177	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0766	0.4177	1
Schistosoma mansoni	hypothetical protein	0.0338	0.1764	0.1736
Schistosoma mansoni	thyroid hormone receptor	0.0766	0.4177	0.4157
Loa Loa (eye worm)	hypothetical protein	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0766	0.4177	1
Brugia malayi	nuclear receptor NHR-88	0.0766	0.4177	1
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0154	0.0121
Brugia malayi	Steroid receptor seven-up type 2	0.0766	0.4177	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0766	0.4177	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0405	0.2138	0.5079
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0766	0.4177	1
Brugia malayi	MAP kinase sur-1	0.0049	0.0134	0.0241
Brugia malayi	Nuclear hormone receptor E75	0.0361	0.1894	0.4489
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0361	0.1894	0.4489
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0405	0.2138	0.2111
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0117	0.02
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0361	0.1894	0.4489
Loa Loa (eye worm)	steroid hormone receptor	0.0766	0.4177	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0361	0.1894	0.4489
Brugia malayi	nuclear hormone receptor	0.0361	0.1894	0.4489
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0134	1
Brugia malayi	hypothetical protein	0.0405	0.2138	0.5079
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0766	0.4177	1
Echinococcus multilocularis	FTZ F1 alpha	0.0766	0.4177	1
Brugia malayi	nuclear receptor RXR	0.0361	0.1894	0.4489
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0361	0.1894	0.4489
Echinococcus multilocularis	geminin	0.0172	0.0824	0.1907
Onchocerca volvulus		0.0361	0.1894	0.4324
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0766	0.4177	1
Trypanosoma brucei	protein kinase, putative	0.0049	0.0134	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0766	0.4177	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0766	0.4177	1
Schistosoma mansoni	coup transcription factor	0.0766	0.4177	0.4157
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0766	0.4177	0.4157
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0049	0.0134	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0361	0.1894	0.4489
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0766	0.4177	1
Brugia malayi	tailless protein	0.0361	0.1894	0.4489
Brugia malayi	hypothetical protein	0.0361	0.1894	0.4489
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0361	0.1894	0.4489
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0766	0.4177	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0117	0.02
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0361	0.1894	0.4489
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0766	0.4177	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0766	0.4177	1
Onchocerca volvulus		0.0766	0.4177	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0766	0.4177	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0766	0.4177	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0766	0.4177	0.4157
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0049	0.0134	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0405	0.2138	0.5079
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0134	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0766	0.4177	1
Brugia malayi	hypothetical protein	0.0405	0.2138	0.5079
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0766	0.4177	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0361	0.1894	0.1866
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0154	0.029
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0766	0.4177	0.4157
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0049	0.0134	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0766	0.4177	0.4157
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0766	0.4177	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0766	0.4177	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0361	0.1894	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0766	0.4177	0.4157
Entamoeba histolytica	hypothetical protein	0.0026	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0766	0.4177	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0049	0.0134	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0134	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0117	0.02
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Echinococcus granulosus	mitogen activated protein kinase	0.0049	0.0134	0.0241
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0361	0.1894	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0405	0.2138	0.5079
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0766	0.4177	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0049	0.0134	0.0241
Brugia malayi	orphan nuclear receptor NR2E1	0.0361	0.1894	0.4489
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0766	0.4177	0.4157
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0134	1
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0034	0.5
Brugia malayi	RNA, U transporter 1	0.009	0.0363	0.0796
Brugia malayi	conserved hypotetical protein	0.0361	0.1894	0.4489
Schistosoma mansoni	nuclear receptor	0.0361	0.1894	0.1866
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0766	0.4177	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0361	0.1894	0.4324
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0117	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0134	0.01
Brugia malayi	nuclear receptor RXR	0.0405	0.2138	0.5079
Loa Loa (eye worm)	hypothetical protein	0.0766	0.4177	1
Echinococcus multilocularis	survival motor neuron protein 1	0.026	0.1321	0.3108
Loa Loa (eye worm)	hypothetical protein	0.0405	0.2138	0.5079
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0766	0.4177	1
Schistosoma mansoni	zinc finger protein	0.0361	0.1894	0.1866
Echinococcus multilocularis	snurportin 1	0.0338	0.1764	0.4176
Onchocerca volvulus	Protein ultraspiracle homolog	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Schistosoma mansoni	hypothetical protein	0.0172	0.0824	0.0793
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0117	0.02
Plasmodium falciparum	importin beta, putative	0.0032	0.0034	0.5
Brugia malayi	nuclear hormone receptor family member odr-7	0.0361	0.1894	0.4489
Echinococcus granulosus	snurportin 1	0.0338	0.1764	0.4176
Brugia malayi	ecdysteroid receptor	0.0766	0.4177	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0117	0.02
Echinococcus granulosus	mitogen activated protein kinase 3	0.0049	0.0134	0.0241
Echinococcus granulosus	survival motor neuron protein 1	0.026	0.1321	0.3108
Loa Loa (eye worm)	hypothetical protein	0.0405	0.2138	0.5079
Echinococcus multilocularis	nuclear receptor nhr 48	0.0361	0.1894	0.4489
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0361	0.1894	0.1866
Loa Loa (eye worm)	nuclear hormone receptor	0.0361	0.1894	0.4489
Schistosoma mansoni	thyroid hormone receptor	0.0766	0.4177	0.4157
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0766	0.4177	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Brugia malayi	steroid hormone receptor	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0766	0.4177	1
Schistosoma mansoni	nuclear receptor	0.0361	0.1894	0.1866
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0049	0.0134	0.0241
Brugia malayi	Nuclear hormone receptor-like 1	0.0405	0.2138	0.5079
Brugia malayi	Nuclear hormone receptor-like 1	0.0405	0.2138	0.5079
Giardia lamblia	Kinase, CMGC MAPK	0.0049	0.0134	0.5
Loa Loa (eye worm)	hypothetical protein	0.026	0.1321	0.3108
Brugia malayi	Nuclear hormone receptor-like 1	0.0766	0.4177	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0049	0.0134	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Schistosoma mansoni	nuclear hormone receptor	0.0766	0.4177	0.4157
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0361	0.1894	0.4489
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0766	0.4177	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0049	0.0134	1
Trichomonas vaginalis	CMGC family protein kinase	0.0049	0.0134	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0361	0.1894	0.4489
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0405	0.2138	0.5079
Brugia malayi	nuclear receptor NHR-67	0.0361	0.1894	0.4489
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0117	0.0083
Loa Loa (eye worm)	DR-78	0.0361	0.1894	0.4489
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0361	0.1894	0.4489
Brugia malayi	hypothetical protein	0.0361	0.1894	0.4489
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0766	0.4177	1
Brugia malayi	ecdysone receptor	0.0361	0.1894	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0405	0.2138	0.5079
Brugia malayi	nuclear receptor NHR-88	0.0361	0.1894	0.4489
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0049	0.0134	0.0241
Brugia malayi	hypothetical protein	0.026	0.1321	0.3108
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0405	0.2138	0.2111
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0361	0.1894	0.4324
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0117	0.02
Onchocerca volvulus	Bile acid receptor homolog	0.0766	0.4177	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0338	0.1764	0.4176
Onchocerca volvulus		0.0361	0.1894	0.4324
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0766	0.4177	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0766	0.4177	0.4157
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0361	0.1894	0.4489
Brugia malayi	photoreceptor-specific nuclear receptor	0.0766	0.4177	1
Brugia malayi	nuclear hormone receptor	0.0766	0.4177	1
Loa Loa (eye worm)	hypothetical protein	0.0766	0.4177	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0361	0.1894	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1894	0.4489
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0766	0.4177	1
Schistosoma mansoni	hypothetical protein	0.0172	0.0824	0.0793
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0405	0.2138	0.5079

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-6.44	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.335	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.249	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.242	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.222	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.036	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.927	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.662	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.589	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.511	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.465	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	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: CHEMBL1997963

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 1626852