TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 450.479 | Formula: C23H30O9
H donors: 3 H acceptors: 6 LogP: 2.02 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C(OC(C(=O)O[C@@H]1[C@@H](O)[C@H](O)C=C(C1=O)CO)CC(C)C)Cc1ccccc1
InChi: 1S/C23H30O9/c1-13(2)9-17(31-18(22(28)30-3)10-14-7-5-4-6-8-14)23(29)32-21-19(26)15(12-24)11-16(25)20(21)27/h4-8,11,13,16-18,20-21,24-25,27H,9-10,12H2,1-3H3/t16-,17?,18?,20+,21+/m1/s1
InChiKey: WKPWSSVSBBBVAQ-VWHSNLPJSA-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
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0123	0.0381
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.29	0.2839
Brugia malayi	polk-prov protein	0.003	0.6816	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	1	1
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0019	0.3222	0.3137
Schistosoma mansoni	ap endonuclease	0.0018	0.29	0.8998
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0124	0.0002
Trichomonas vaginalis	DNA helicase recq1, putative	0.0019	0.3222	0.0455
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.3222	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.29	0.4148
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.29	0.6567
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	1	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.29	0.4149
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.3222	0.3138
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.29	0.2811
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0124	0.0002
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.3622	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.6816	0.6789
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0124	0.0002
Leishmania major	DNA polymerase kappa, putative	0.002	0.3622	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.0019	0.3222	0.447
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0124	0.0385
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0124	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.2189	0.2122
Loa Loa (eye worm)	hypothetical protein	0.001	0.0124	0.0002
Echinococcus granulosus	dna polymerase eta	0.0014	0.1517	0.1411
Loa Loa (eye worm)	hypothetical protein	0.001	0.0124	0.0002
Schistosoma mansoni	DNA polymerase eta	0.0014	0.1517	0.4709
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0124	0.0002
Loa Loa (eye worm)	hypothetical protein	0.001	0.0124	0.0002
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0124	0.0385
Loa Loa (eye worm)	hypothetical protein	0.001	0.0124	0.0002
Brugia malayi	Bloom's syndrome protein homolog	0.0019	0.3222	0.463
Trypanosoma brucei	DNA polymerase eta, putative	0.0014	0.1517	0.1445
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.0123	0.0381
Mycobacterium ulcerans	DNA polymerase IV	0.004	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.6816	0.6789
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0124	0.0002
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0124	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0019	0.3222	0.4631
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.3222	0.3165
Schistosoma mansoni	DNA helicase recq1	0.0019	0.3222	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0019	0.3222	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0014	0.1517	0.1412
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0123	0.0381
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.004	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.7895	0.7878
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.29	0.281
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.0123	0.0423
Loa Loa (eye worm)	hypothetical protein	0.001	0.0124	0.0002
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0019	0.3222	0.3137
Loa Loa (eye worm)	hypothetical protein	0.001	0.0124	0.0002
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0019	0.3222	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0014	0.1517	0.4709
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.3622	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.2189	0.2122
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	1	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.29	0.281
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0014	0.1517	0.4709
Schistosoma mansoni	DNA helicase recq5	0.0019	0.3222	1
Schistosoma mansoni	coup transcription factor	0.001	0.0124	0.0385
Loa Loa (eye worm)	hypothetical protein	0.001	0.0124	0.0002
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0014	0.1517	0.1411
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.29	1
Toxoplasma gondii	exonuclease III APE	0.0018	0.29	0.8998
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0019	0.3222	0.3137
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.3622	0.3568
Trichomonas vaginalis	DNA helicase recq, putative	0.0019	0.3222	0.0455
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0124	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0019	0.3222	0.4631
Echinococcus multilocularis	dna polymerase kappa	0.004	1	1
Giardia lamblia	DINP protein human, muc B family	0.002	0.3622	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0124	0.0385
Onchocerca volvulus		0.001	0.0124	0.5
Schistosoma mansoni	ap endonuclease	0.0018	0.29	0.8998
Brugia malayi	ImpB/MucB/SamB family protein	0.0014	0.1517	0.2082
Trypanosoma brucei	DNA polymerase IV, putative	0.004	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.004	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0124	0.0385
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0124	0.0385
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.3222	0.8102
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.2189	0.2122
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0124	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0124	0.0002
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.3222	0.463
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0124	0.0002
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0124	0.0385
Loa Loa (eye worm)	hypothetical protein	0.003	0.6816	1
Echinococcus multilocularis	dna polymerase eta	0.0014	0.1517	0.1411
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0014	0.1517	0.2082
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.29	0.8998
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0124	0.0385
Mycobacterium ulcerans	DNA polymerase IV	0.004	1	1
Loa Loa (eye worm)	RecQ helicase	0.0019	0.3222	0.4631
Echinococcus granulosus	bloom syndrome protein	0.0019	0.3222	0.3137
Entamoeba histolytica	recQ family helicase, putative	0.0019	0.3222	1
Trypanosoma brucei	unspecified product	0.0033	0.7895	0.7878
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0124	0.0002
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0014	0.1517	0.1411
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1517	0.2084
Loa Loa (eye worm)	hypothetical protein	0.001	0.0123	0.0000000038949
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	1	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0014	0.1517	0.4709
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.3222	0.463
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.29	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0124	0.0385
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0124	0.0002
Trichomonas vaginalis	DNA helicase recq, putative	0.0019	0.3222	0.0455
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.29	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0124	0.0385
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.29	0.2811
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.3222	1
Echinococcus multilocularis	bloom syndrome protein	0.0019	0.3222	0.3137
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0124	0.0385
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0014	0.1517	0.2084
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0011	0.0438	0.1359
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0124	0.0385
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.29	0.6567
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.004	1	1
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0019	0.3222	0.3137

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: CHEMBL498693

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 1004469