TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 672.718 | Formula: C38H40O11
H donors: 0 H acceptors: 5 LogP: 6.12 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: O=c1c2ccc3c(c2oc2c1cccc2)[C@@H](OC(=O)C12CCC(C2(C)C)(C(=O)O1)C)[C@H](C(O3)(C)C)OC(=O)C12CCC(C2(C)C)(C(=O)O1)C
InChi: 1S/C38H40O11/c1-32(2)27(46-31(43)38-18-16-36(8,29(41)49-38)34(38,5)6)26(45-30(42)37-17-15-35(7,28(40)48-37)33(37,3)4)23-22(47-32)14-13-20-24(39)19-11-9-10-12-21(19)44-25(20)23/h9-14,26-27H,15-18H2,1-8H3/t26-,27-,35?,36?,37?,38?/m1/s1
InChiKey: ZVSVCQRFPGISBM-DLTLBTIQSA-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
Loa Loa (eye worm)	hypothetical protein	0.0605	0.0866	0.0843
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0175	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0885	0.132	0.1298
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0885	0.132	0.1298
Echinococcus granulosus	peptidase Clp S14 family	0.0115	0.007	0.0042
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0094	0.0066
Brugia malayi	sulfakinin receptor protein	0.0269	0.032	0.0293
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.4366	0.697	0.6962
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.4366	0.697	0.6962
Echinococcus granulosus	GPCR family 2	0.028	0.0338	0.0311
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.047	0.0647	0.0621
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.6232	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0034	0.0006
Echinococcus granulosus	tar DNA binding protein	0.0141	0.0113	0.0085
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.6232	1	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.013	0.0094	0.0095
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.4366	0.697	0.6962
Schistosoma mansoni	serine/threonine protein kinase	0.013	0.0094	0.0094
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0115	0.007	0.0042
Schistosoma mansoni	hypothetical protein	0.0173	0.0165	0.0165
Schistosoma mansoni	kinase	0.0094	0.0036	0.0036
Giardia lamblia	Kinase, PLK	0.013	0.0094	0.0066
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0175	0.0168	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0386	0.051	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.6232	1	1
Brugia malayi	hypothetical protein	0.0249	0.0288	0.0261
Echinococcus multilocularis	geminin	0.0256	0.0299	0.0271
Schistosoma mansoni	hypothetical protein	0.028	0.0338	0.0338
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0885	0.132	0.1296
Schistosoma mansoni	hypothetical protein	0.0605	0.0866	0.0866
Loa Loa (eye worm)	latrophilin receptor protein 2	0.028	0.0338	0.0314
Brugia malayi	RNA recognition motif domain containing protein	0.0141	0.0113	0.0085
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.6232	1	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.6232	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0386	0.051	1
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0094	0.0066
Echinococcus granulosus	mitogen activated protein kinase 3	0.6232	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0175	0.0168	0.2908
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.047	0.0647	0.0621
Brugia malayi	RNA binding protein	0.0141	0.0113	0.0085
Schistosoma mansoni	hypothetical protein	0.0256	0.0299	0.0299
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.013	0.0094	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0386	0.051	0.0486
Toxoplasma gondii	isocitrate dehydrogenase	0.0153	0.0131	0.0104
Echinococcus multilocularis	mitogen activated protein kinase	0.6232	1	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0153	0.0131	0.0104
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0094	0.0066
Brugia malayi	Probable ClpP-like protease	0.0175	0.0168	0.0141
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.047	0.0647	0.0621
Giardia lamblia	Kinase, CMGC MAPK	0.6232	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0094	0.0066
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.0113	0.0113
Schistosoma mansoni	peptidase Clp (S14 family)	0.0175	0.0168	0.0168
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.028	0.0338	0.0311
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0153	0.0131	0.0104
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.047	0.0647	0.0647
Brugia malayi	Latrophilin receptor protein 2	0.028	0.0338	0.0311
Echinococcus multilocularis	GPCR, family 2	0.028	0.0338	0.0311
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.6232	1	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.3456	0.5494	0.5481
Echinococcus granulosus	tumor protein p63	0.0594	0.0848	0.0822
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0094	0.0066
Toxoplasma gondii	LsmAD domain-containing protein	0.0386	0.051	0.0483
Trichomonas vaginalis	conserved hypothetical protein	0.4366	0.697	0.6962
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0153	0.0131	0.0107
Echinococcus multilocularis	tumor protein p63	0.0594	0.0848	0.0822
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.4366	0.697	0.6962
Loa Loa (eye worm)	hypothetical protein	0.028	0.0338	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0269	0.032	0.0296
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0094	0.0066
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0153	0.0131	1
Schistosoma mansoni	hypothetical protein	0.028	0.0338	0.0338
Brugia malayi	serine/threonine-protein kinase plk-2	0.013	0.0094	0.0066
Entamoeba histolytica	hypothetical protein, conserved	0.4366	0.697	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0175	0.0168	0.0141
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0153	0.0131	0.2145
Trypanosoma brucei	polo-like protein kinase	0.013	0.0094	0.0066
Loa Loa (eye worm)	TAR-binding protein	0.0141	0.0113	0.0089
Trypanosoma cruzi	PAB1-binding protein , putative	0.0386	0.051	0.0483
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.047	0.0647	0.0624
Trichomonas vaginalis	CMGC family protein kinase	0.6232	1	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0153	0.0131	0.0104
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.6232	1	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0175	0.0168	1
Toxoplasma gondii	SWI2/SNF2-containing protein	0.009	0.0031	0.0002
Trypanosoma cruzi	polo-like protein kinase, putative	0.013	0.0094	0.0066
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.4366	0.697	0.6962
Trichomonas vaginalis	CMGC family protein kinase	0.6232	1	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0153	0.0131	0.0131
Trypanosoma cruzi	polo-like protein kinase, putative	0.013	0.0094	0.0066
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0153	0.0131	0.2145
Loa Loa (eye worm)	MH2 domain-containing protein	0.0863	0.1285	0.1264
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0153	0.0131	0.0104
Entamoeba histolytica	DNA repair and recombination protein, putative	0.4366	0.697	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0863	0.1285	0.1264
Plasmodium vivax	ataxin-2 like protein, putative	0.0386	0.051	1
Schistosoma mansoni	hypothetical protein	0.028	0.0338	0.0338
Trichomonas vaginalis	CMGC family protein kinase	0.6232	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.0113	0.0113
Echinococcus granulosus	geminin	0.0256	0.0299	0.0271
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.028	0.0338	0.0311
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0175	0.0168	0.0141
Schistosoma mansoni	serine/threonine protein kinase	0.6232	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0141	0.0113	0.0085
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.047	0.0647	0.0647
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.6232	1	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.013	0.0094	0.0066
Trichomonas vaginalis	CAMK family protein kinase	0.013	0.0094	0.0066
Giardia lamblia	Rrm3p helicase	0.4366	0.697	0.6962
Brugia malayi	hypothetical protein	0.0468	0.0643	0.0617
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0885	0.132	0.1296
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.6232	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0386	0.051	0.0483
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0153	0.0131	0.0104
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0153	0.0131	0.0104
Brugia malayi	hypothetical protein	0.0386	0.051	0.0483
Onchocerca volvulus		0.0468	0.0643	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0153	0.0131	0.0104
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.013	0.0094	0.0066
Trypanosoma cruzi	PAB1-binding protein , putative	0.0386	0.051	0.0483
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0115	0.007	0.3007
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.028	0.0338	0.0311
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.4366	0.697	0.6962
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.013	0.0094	0.007
Brugia malayi	latrophilin 2 splice variant baaae	0.0605	0.0866	0.084
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0153	0.0131	0.0104
Schistosoma mansoni	cellular tumor antigen P53	0.0087	0.0025	0.0025
Brugia malayi	Isocitrate dehydrogenase	0.0153	0.0131	0.0104
Brugia malayi	MH2 domain containing protein	0.0863	0.1285	0.1261
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.028	0.0338	0.0311
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.4366	0.697	0.6962
Echinococcus granulosus	mitogen activated protein kinase	0.6232	1	1
Leishmania major	hypothetical protein, conserved	0.0386	0.051	0.0483
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.0113	0.0113
Toxoplasma gondii	isocitrate dehydrogenase	0.0153	0.0131	0.0104
Trypanosoma brucei	protein kinase, putative	0.6232	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.047	0.0647	0.0621
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.047	0.0647	0.0621
Loa Loa (eye worm)	RNA binding protein	0.0141	0.0113	0.0089
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0175	0.0168	0.2908
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.4366	0.697	0.6962
Brugia malayi	TAR-binding protein	0.0141	0.0113	0.0085
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0153	0.0131	0.0104
Schistosoma mansoni	hypothetical protein	0.0256	0.0299	0.0299
Schistosoma mansoni	hypothetical protein	0.4366	0.697	0.697
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.028	0.0338	0.0311
Leishmania major	DNA topoisomerase III, putative	0.0179	0.0175	0.0147
Treponema pallidum	DNA topoisomerase I (topA)	0.0179	0.0175	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0175	0.0168	0.0141
Schistosoma mansoni	hypothetical protein	0.028	0.0338	0.0338
Loa Loa (eye worm)	DNA topoisomerase III	0.0089	0.0028	0.0003
Echinococcus multilocularis	mitogen activated protein kinase 3	0.6232	1	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0137	0.0106	0.0078
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0173	0.0165	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0168	0.0144
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0179	0.0175	1
Brugia malayi	isocitrate dehydrogenase	0.0153	0.0131	0.0104
Trichomonas vaginalis	CMGC family protein kinase	0.6232	1	1
Chlamydia trachomatis	DNA topoisomerase I	0.0179	0.0175	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0153	0.0131	0.0104
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0141	0.0113	0.0089
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.0113	0.0113
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0034	0.0006
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.4366	0.697	0.6962
Brugia malayi	hypothetical protein	0.0269	0.032	0.0293
Onchocerca volvulus	Serine\/threonine kinase homolog	0.013	0.0094	0.1122
Loa Loa (eye worm)	hypothetical protein	0.0468	0.0643	0.062
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0179	0.0175	0.0175
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0175	0.0168	0.0141
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.0113	0.0113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.047	0.0647	0.0647
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0153	0.0131	0.0104
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0173	0.0165	0.0137

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: CHEMBL1928615

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 1596228