TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 626.561 | Formula: C31H30O14
H donors: 0 H acceptors: 7 LogP: 2.8 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CC(=O)O[C@H]1[C@H](Oc2cc(OC(=O)C)c3c(c2)C(=O)c2c(C3=O)c(OC(=O)C)cc(c2)C)O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)C
InChi: 1S/C31H30O14/c1-12-8-20-24(22(9-12)40-14(3)32)27(38)25-21(26(20)37)10-19(11-23(25)41-15(4)33)45-31-30(44-18(7)36)29(43-17(6)35)28(13(2)39-31)42-16(5)34/h8-11,13,28-31H,1-7H3/t13-,28-,29+,30+,31-/m0/s1
InChiKey: JCPFMQWUFKAUNZ-TYQWWVCNSA-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
Mycobacterium tuberculosis	Probable lipase LipE	0.0186	0.1434	0.0776
Brugia malayi	MH2 domain containing protein	0.0482	0.3958	1
Echinococcus multilocularis	lamin dm0	0.0085	0.0573	0.051
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0186	0.1434	0.2391
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0203	0.0143
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.0219	0.0107
Schistosoma mansoni	hypothetical protein	0.007	0.0446	0.0587
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0123	0.0552
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0219	0.0554
Brugia malayi	MH2 domain containing protein	0.0033	0.0125	0.0316
Loa Loa (eye worm)	intermediate filament protein	0.0085	0.0573	0.1448
Schistosoma mansoni	hypothetical protein	0.0175	0.1336	0.2211
Onchocerca volvulus		0.0186	0.1434	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1091	0.2757
Schistosoma mansoni	cellular tumor antigen P53	0.0155	0.1172	0.1912
Echinococcus multilocularis	musashi	0.0085	0.0573	0.051
Trypanosoma brucei	hypothetical protein, conserved	0.0186	0.1434	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0155	0.117	0.1189
Mycobacterium tuberculosis	Conserved protein	0.0186	0.1434	0.0776
Echinococcus multilocularis	microtubule associated protein 2	0.0674	0.5602	0.6231
Loa Loa (eye worm)	MH2 domain-containing protein	0.0482	0.3958	1
Schistosoma mansoni	lamin	0.0085	0.0573	0.0818
Echinococcus granulosus	lamin	0.0085	0.0573	0.051
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1434	0.3624
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0219	0.1526
Leishmania major	hypothetical protein, conserved	0.0186	0.1434	1
Schistosoma mansoni	transcription factor LCR-F1	0.007	0.0446	0.0587
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0155	0.117	0.7666
Trypanosoma cruzi	hypothetical protein, conserved	0.0186	0.1434	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0047	0.0002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0143	0.0691
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0186	0.1434	1
Giardia lamblia	GTOR	0.0044	0.0219	0.5
Onchocerca volvulus		0.0146	0.1091	0.6015
Echinococcus granulosus	lamin dm0	0.0085	0.0573	0.051
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.0219	0.0591
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0046	0.0235	0.0594
Echinococcus granulosus	intermediate filament protein	0.0085	0.0573	0.051
Schistosoma mansoni	peptidase Clp (S14 family)	0.0155	0.117	0.1908
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.007	0.0446	0.0365
Brugia malayi	Smad1	0.0033	0.0125	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0084	0.056	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1336	0.3375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0143	0.0691
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0102	0.0714	0.3636
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0535	0.1352
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.0173	0.0055
Echinococcus multilocularis	lamin	0.0085	0.0573	0.051
Mycobacterium leprae	conserved hypothetical protein	0.0186	0.1434	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0033	0.0125	0.0316
Brugia malayi	cytoplasmic intermediate filament protein	0.0046	0.0235	0.0594
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.0219	0.0591
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0155	0.117	0.1189
Mycobacterium tuberculosis	Conserved protein	0.0186	0.1434	0.0776
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0219	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0033	0.013	0.0328
Schistosoma mansoni	lamin	0.0085	0.0573	0.0818
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0155	0.117	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0036	0.0152	0.0756
Brugia malayi	beta-lactamase family protein	0.0186	0.1434	0.3624
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.063	0.522	0.5797
Echinococcus granulosus	beta LACTamase domain containing family member	0.0186	0.1434	0.149
Mycobacterium ulcerans	esterase/lipase LipP	0.0186	0.1434	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.0219	0.0591
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0186	0.1434	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0573	0.1448
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.0173	0.0055
Mycobacterium ulcerans	hypothetical protein	0.0186	0.1434	1
Echinococcus granulosus	tumor protein p63	0.1062	0.8914	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0289	0.0731
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0255	0.2026	0.5118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0047	0.0002
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0203	0.0143
Entamoeba histolytica	hypothetical protein	0.007	0.0446	1
Brugia malayi	hypothetical protein	0.0146	0.1091	0.2757
Mycobacterium leprae	Probable lipase LipE	0.0186	0.1434	1
Echinococcus multilocularis	GPCR, family 2	0.0081	0.0535	0.0466
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0123	0.0552
Loa Loa (eye worm)	transcription factor SMAD2	0.0482	0.3958	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0155	0.117	0.7983
Brugia malayi	beta-lactamase	0.0186	0.1434	0.3624
Mycobacterium tuberculosis	Conserved protein	0.0186	0.1434	0.0776
Onchocerca volvulus		0.0155	0.1172	0.6958
Trichomonas vaginalis	D-aminoacylase, putative	0.0186	0.1434	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0186	0.1434	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0165	0.0849
Schistosoma mansoni	hypothetical protein	0.0081	0.0535	0.0748
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0186	0.1434	0.0776
Mycobacterium tuberculosis	Probable lipase LipD	0.0186	0.1434	0.0776
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.0219	0.0172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0069	0.0157
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0219	0.1243
Schistosoma mansoni	hypothetical protein	0.0081	0.0535	0.0748
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0143	0.0691
Schistosoma mansoni	hypothetical protein	0.0081	0.0535	0.0748
Brugia malayi	latrophilin 2 splice variant baaae	0.0175	0.1336	0.3375
Loa Loa (eye worm)	hypothetical protein	0.0155	0.117	0.2956
Trypanosoma cruzi	hypothetical protein, conserved	0.0186	0.1434	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0289	0.03
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0289	0.0731
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0289	0.03
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0123	0.0552
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0085	0.0573	0.1448
Loa Loa (eye worm)	MH2 domain-containing protein	0.0033	0.0125	0.0316
Trichomonas vaginalis	penicillin-binding protein, putative	0.0186	0.1434	1
Echinococcus granulosus	peptidase Clp S14 family	0.0102	0.0714	0.0669
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0155	0.117	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0123	0.0552
Toxoplasma gondii	ABC1 family protein	0.0186	0.1434	1
Echinococcus granulosus	GPCR family 2	0.0081	0.0535	0.0466
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.0219	0.0107
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0081	0.0535	0.1352
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0123	0.0552
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0186	0.1434	0.0776
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0081	0.0535	0.0466
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0289	0.0187
Brugia malayi	hypothetical protein	0.007	0.0446	0.1128
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1434	0.3624
Plasmodium vivax	hypothetical protein, conserved	0.0186	0.1434	1
Echinococcus multilocularis	tumor protein p63	0.1062	0.8914	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0081	0.0535	0.1352
Entamoeba histolytica	hypothetical protein	0.007	0.0446	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0022	0.015
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1434	0.3624
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0069	0.0157
Brugia malayi	Latrophilin receptor protein 2	0.0081	0.0535	0.1352
Entamoeba histolytica	hypothetical protein	0.007	0.0446	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0186	0.1434	0.0776
Brugia malayi	MH2 domain containing protein	0.0033	0.0125	0.0316
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0041	0.0196	0.0081
Loa Loa (eye worm)	beta-lactamase	0.0186	0.1434	0.3624
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0289	0.03
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0036	0.0152	0.0756
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0081	0.0535	0.0466
Brugia malayi	intermediate filament protein	0.0085	0.0573	0.1448
Brugia malayi	Intermediate filament tail domain containing protein	0.0085	0.0573	0.1448
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1434	0.3624
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0088	0.0297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0219	0.1243
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0173	0.0438
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0096	0.0355
Brugia malayi	Probable ClpP-like protease	0.0155	0.117	0.2956
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0066	0.0142
Loa Loa (eye worm)	hypothetical protein	0.004	0.0183	0.0462
Schistosoma mansoni	hypothetical protein	0.0081	0.0535	0.0748
Loa Loa (eye worm)	hypothetical protein	0.0255	0.2026	0.5118
Trichomonas vaginalis	D-aminoacylase, putative	0.0186	0.1434	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0186	0.1434	0.2391
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0196	0.0496
Trichomonas vaginalis	D-aminoacylase, putative	0.0186	0.1434	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0066	0.0142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0219	0.1243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0069	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1172	0.2962
Echinococcus granulosus	tm gpcr rhodopsin	0.063	0.522	0.5797
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0102	0.0714	0.0669
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0047	0.0002
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0186	0.1434	0.3624
Mycobacterium tuberculosis	Probable hydrolase	0.0186	0.1434	0.0776
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0255	0.2026	0.5118
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.0219	0.1526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0123	0.0552
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0123	0.0552
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.0173	0.0438
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0143	0.0691
Loa Loa (eye worm)	Smad1	0.0033	0.0125	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1434	0.3624
Brugia malayi	MH1 domain containing protein	0.0033	0.0125	0.0316
Onchocerca volvulus		0.0186	0.1434	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0143	0.0691
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0041	0.0196	0.0081
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0155	0.117	0.5
Brugia malayi	MH1 domain containing protein	0.0033	0.0125	0.0316
Schistosoma mansoni	microtubule-associated protein tau	0.0674	0.5602	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0289	0.0187
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0035	0.0143	0.0994
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0155	0.117	1
Mycobacterium ulcerans	lipase LipD	0.0186	0.1434	1
Schistosoma mansoni	intermediate filament proteins	0.0085	0.0573	0.0818
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0081	0.0535	0.0466
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0155	0.117	0.7983
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0255	0.2026	0.5118
Onchocerca volvulus		0.0186	0.1434	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0047	0.0002
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.007	0.0446	0.0365
Loa Loa (eye worm)	hypothetical protein	0.004	0.0183	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1434	0.3624
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0186	0.1434	0.3624
Mycobacterium ulcerans	beta-lactamase	0.0186	0.1434	1
Echinococcus granulosus	microtubule associated protein 2	0.0674	0.5602	0.6231
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0081	0.0535	0.0466
Trichomonas vaginalis	esterase, putative	0.0186	0.1434	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.0219	0.0591
Entamoeba histolytica	hypothetical protein	0.007	0.0446	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0289	0.0187
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0289	0.0187
Toxoplasma gondii	hypothetical protein	0.0053	0.0301	0.1358
Brugia malayi	beta-lactamase family protein	0.0186	0.1434	0.3624
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0155	0.117	0.7666
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0186	0.1434	0.149
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0155	0.117	0.5

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: CHEMBL455526

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 1177318