TDR Targets

Basic information

Technical information

TDR Targets ID: 1002199
Name: [(1R,2S)-2-(3,4-dimethoxy-6-oxo-1-prop-2-enyl -1-cyclohexa-2,4-dienyl)-1-(3,4-dimethoxyphen yl)propyl] acetate
MW: 430.491 | Formula: C24H30O7
H donors: 0 H acceptors: 2 LogP: 3.53 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: C=CCC1(C=C(OC)C(=CC1=O)OC)[C@@H]([C@H](c1ccc(c(c1)OC)OC)OC(=O)C)C
InChi: 1S/C24H30O7/c1-8-11-24(14-21(30-7)20(29-6)13-22(24)26)15(2)23(31-16(3)25)17-9-10-18(27-4)19(12-17)28-5/h8-10,12-15,23H,1,11H2,2-7H3/t15-,23-,24?/m1/s1
InChiKey: SVCDSCSVRZHKRQ-PRTQWILMSA-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

[(1R,2S)-2-(1-allyl-3,4-dimethoxy-6-oxo-1-cyclohexa-2,4-dienyl)-1-(3,4-dimethoxyphenyl)propyl] acetate
acetic acid [(1R,2S)-2-(1-allyl-3,4-dimethoxy-6-oxo-1-cyclohexa-2,4-dienyl)-1-(3,4-dimethoxyphenyl)propyl] ester
acetic acid [(1R,2S)-2-(1-allyl-6-keto-3,4-dimethoxy-1-cyclohexa-2,4-dienyl)-1-(3,4-dimethoxyphenyl)propyl] ester
[(1R,2S)-2-(3,4-dimethoxy-6-oxo-1-prop-2-enyl-1-cyclohexa-2,4-dienyl)-1-(3,4-dimethoxyphenyl)propyl] ethanoate

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)	hypothetical protein	0.0052	0.2768	0.7051
Schistosoma mansoni	hypothetical protein	0.0016	0.0327	0.0327
Echinococcus granulosus	GPCR family 2	0.0016	0.0327	0.0833
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0068	0.3926	1
Plasmodium vivax	thioredoxin reductase, putative	0.0049	0.2584	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0371	0.5
Onchocerca volvulus		0.0017	0.0397	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0327	0.0833
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Entamoeba histolytica	hypothetical protein	0.0037	0.1774	0.452
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.0397	0.0116
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0327	0.0833
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0124	0.7786	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.1774	0.4022
Leishmania major	cathepsin L-like protease	0.0017	0.0397	0.0072
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.2768	0.7051
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0068	0.3926	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0112	0.6924	0.8837
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0068	0.3926	1
Leishmania major	cathepsin L-like protease	0.0066	0.3767	0.9553
Onchocerca volvulus		0.0017	0.0397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0371	0.0371
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0049	0.2584	0.2985
Onchocerca volvulus		0.0017	0.0397	1
Entamoeba histolytica	hypothetical protein	0.0037	0.1774	0.452
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0017	0.0371	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0397	0.101
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0397	0.101
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0397	0.101
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0397	0.101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Onchocerca volvulus		0.0017	0.0397	1
Onchocerca volvulus		0.0017	0.0397	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0327	0.0327
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0397	0.101
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0397	0.101
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Leishmania major	cathepsin L-like protease	0.0066	0.3767	0.9553
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.3767	0.9553
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0371	0.5
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0068	0.3926	0.3926
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.3926	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0397	0.101
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0397	0.0397
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1
Mycobacterium tuberculosis	Probable reductase	0.0112	0.6924	0.8837
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.1638	0.4173
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.2584	0.6583
Plasmodium falciparum	thioredoxin reductase	0.0049	0.2584	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0397	0.101
Brugia malayi	Thioredoxin reductase	0.0049	0.2584	0.6583
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0397	0.101
Leishmania major	cathepsin L-like protease	0.0017	0.0397	0.0072
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0371	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0397	0.101
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0124	0.7786	1
Echinococcus multilocularis	cysteine protease	0.0017	0.0397	0.0193
Plasmodium vivax	vivapain-2	0.0017	0.0397	0.0116
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.3926	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0397	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0397	0.101
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.3371	0.8438
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.0397	0.0116
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0068	0.3926	1
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Loa Loa (eye worm)	fibroinase	0.0017	0.0397	0.101
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0327	0.0833
Leishmania major	cathepsin L-like protease	0.0017	0.0397	0.0072
Leishmania major	cathepsin L-like protease	0.0017	0.0397	0.0072
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.0397	0.0072
Entamoeba histolytica	hypothetical protein	0.0037	0.1774	0.452
Schistosoma mansoni	hypothetical protein	0.0035	0.1638	0.1638
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.1934	0.4466
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1638	0.4173
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0397	0.0193
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.3767	0.9553
Onchocerca volvulus		0.0017	0.0397	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0059	0.0151
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0371	0.0945
Loa Loa (eye worm)	cysteine protease	0.0017	0.0397	0.101
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Loa Loa (eye worm)	ctsf protein	0.0017	0.0397	0.101
Leishmania major	cathepsin L-like protease	0.0017	0.0397	0.0072
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0068	0.3926	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0397	0.101
Echinococcus granulosus	transcription factor Dp 1	0.004	0.1934	0.4927
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Brugia malayi	hypothetical protein	0.0037	0.1774	0.452
Mycobacterium tuberculosis	Probable dehydrogenase	0.0112	0.6924	0.8837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0327	0.0327
Trypanosoma cruzi	cruzipain precursor, putative	0.0066	0.3767	0.9553
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.3767	0.9553
Leishmania major	trypanothione reductase	0.0049	0.2584	0.6226
Echinococcus granulosus	cathepsin l1	0.0017	0.0397	0.101
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.2584	0.6272
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.0397	0.0116
Schistosoma mansoni	hypothetical protein	0.0037	0.1774	0.1774
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0371	0.9353
Plasmodium falciparum	glutathione reductase	0.0049	0.2584	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0371	0.0945
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0397	0.0193
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0068	0.3926	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0397	0.0072
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0068	0.3926	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0327	0.0327
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0371	0.9353
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.2584	0.6226
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0112	0.6924	0.8837
Leishmania major	cathepsin L-like protease	0.0066	0.3767	0.9553
Trypanosoma brucei	trypanothione reductase	0.0049	0.2584	0.6226
Mycobacterium tuberculosis	Probable oxidoreductase	0.0124	0.7786	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1
Brugia malayi	glutathione reductase	0.0049	0.2584	0.6583
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0371	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.2768	0.7051
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0397	0.0397
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1
Onchocerca volvulus		0.0017	0.0397	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0397	0.101
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0397	0.0193
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1
Loa Loa (eye worm)	glutathione reductase	0.0049	0.2584	0.6583
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0327	0.0833
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.2584	0.6583
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0059	0.0151
Toxoplasma gondii	cathepsin CPL	0.0017	0.0397	0.0116
Echinococcus multilocularis	cysteine protease	0.0017	0.0397	0.0193
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0371	0.5
Treponema pallidum	NADH oxidase	0.0017	0.0371	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0397	0.0193
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0397	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0397	0.101
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0327	0.0833
Entamoeba histolytica	hypothetical protein	0.0037	0.1774	0.452
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0327	0.0833
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0397	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0112	0.6924	0.8837
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0397	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.3767	0.9553
Plasmodium vivax	vivapain-2	0.0017	0.0397	0.0116
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0397	0.101
Plasmodium vivax	glutathione reductase, putative	0.0049	0.2584	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0397	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0371	0.0122
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.2789	0.6802
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.1774	0.1774
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0371	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.1774	0.452
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.2768	0.7051
Toxoplasma gondii	thioredoxin reductase	0.0049	0.2584	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0124	0.7786	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0112	0.6924	0.8837
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0397	1

Activities

No activities found for this compound.

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: CHEMBL498295

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 1002199