TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 929.183 | Formula: C52H80O14
H donors: 5 H acceptors: 6 LogP: 5.09 Rotable bonds: 16
Rule of 5 violations (Lipinski): 2
SMILES: OCC/C=C/C=C(/COC(=O)[C@@](C[C@@H]1CC[C@H]([C@@]2(O1)C=C(C)C[C@H](O2)[C@@H](/C=C/[C@H]1CC[C@]2(O1)CC[C@@H]1[C@@H](O2)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]2(CCCCO2)CC[C@H]1C)C)O)C)O)(O)C)\C
InChi: 1S/C52H80O14/c1-32(13-9-8-11-25-53)31-59-48(57)49(7,58)30-39-16-17-43(55)52(63-39)29-33(2)27-42(64-52)34(3)14-15-38-19-23-51(62-38)24-20-41-47(66-51)44(56)37(6)46(61-41)40(54)28-36(5)45-35(4)18-22-50(65-45)21-10-12-26-60-50/h8-9,13-15,29,34-36,38-47,53-56,58H,6,10-12,16-28,30-31H2,1-5,7H3/b9-8+,15-14+,32-13+/t34-,35-,36+,38+,39+,40+,41-,42+,43-,44-,45+,46+,47-,49-,50+,51-,52-/m1/s1
InChiKey: ZVZSEYNXJXKNTK-ATWZTDSGSA-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)	doublecortin family protein	0.002	0.0868	0.0868
Leishmania major	cathepsin L-like protease	0.0017	0.0594	0.1205
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0594	0.0594
Leishmania major	cathepsin L-like protease	0.0065	0.4929	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.4929	1
Schistosoma mansoni	hypothetical protein	0.002	0.0868	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0755	0.0755
Brugia malayi	hypothetical protein	0.002	0.0868	0.0868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0594	0.0594
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.1332	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.1332	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0755	0.5671
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0594	0.0514
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0755	0.5885
Onchocerca volvulus		0.002	0.0868	0.0791
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0594	0.1205
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Onchocerca volvulus		0.0017	0.0594	0.0514
Loa Loa (eye worm)	cysteine protease	0.0017	0.0594	0.0594
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0868	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.1332	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0594	0.0594
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.7665	0.7729
Schistosoma mansoni	rab6-interacting	0.002	0.0868	0.0875
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.1332	1
Echinococcus granulosus	cathepsin l1	0.0011	0.0084	0.0085
Brugia malayi	cathepsin L-like precursor	0.0011	0.0084	0.0084
Echinococcus granulosus	cathepsin l1	0.0017	0.0594	0.0599
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.4929	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.1332	1
Onchocerca volvulus		0.002	0.0868	0.0791
Echinococcus granulosus	RUN	0.002	0.0868	0.0875
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0755	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.1332	0.2702
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0868	0.0875
Schistosoma mansoni	loxhd1	0.002	0.0868	0.0875
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.7665	0.7729
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0059	0.4419	0.8965
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.7665	0.7729
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0755	0.5885
Loa Loa (eye worm)	ctsf protein	0.0017	0.0594	0.0594
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0868	0.0875
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.5144	0.5144
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0594	0.0599
Echinococcus multilocularis	cysteine protease	0.0017	0.0594	0.0599
Schistosoma mansoni	lipoxygenase	0.0084	0.6648	0.6703
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1332	0.1332
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.1332	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.7665	0.7729
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0868	0.0875
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0084	0.0084
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5144	0.5187
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5144	0.5187
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.1332	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Echinococcus multilocularis	cysteine protease	0.0017	0.0594	0.0599
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.3671	0.7448
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0594	0.0594
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0084	0.0084
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.1332	0.2702
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.341	0.341
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0594	0.0599
Brugia malayi	RNA binding protein	0.0067	0.5144	0.5144
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0755	0.0755
Echinococcus granulosus	tar DNA binding protein	0.0067	0.5144	0.5187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0594	1
Echinococcus multilocularis	RUN	0.002	0.0868	0.0875
Schistosoma mansoni	polycystin 1-related	0.002	0.0868	0.0875
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.1332	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.7665	0.7729
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5144	0.5187
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.012	0.9918	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1332	0.1332
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0868	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.1332	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0594	0.4088
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0594	0.0594
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0084	0.0084
Brugia malayi	Cytochrome P450 family protein	0.0048	0.341	0.341
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0662	0.4972
Onchocerca volvulus		0.0017	0.0594	0.0514
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0594	0.0594
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.012	0.9918	1
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0594	0.0514
Onchocerca volvulus		0.0017	0.0594	0.0514
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Loa Loa (eye worm)	RNA binding protein	0.0067	0.5144	0.5144
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0594	0.0599
Leishmania major	cathepsin L-like protease	0.0017	0.0594	0.1205
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0662	0.4972
Leishmania major	cathepsin L-like protease	0.0017	0.0594	0.1205
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.5144	0.5144
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0662	0.4972
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0594	0.4088
Onchocerca volvulus		0.0017	0.0594	0.0514
Leishmania major	cathepsin L-like protease	0.0017	0.0594	0.1205
Onchocerca volvulus		0.0017	0.0594	0.0514
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0594	0.0599
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.1332	0.1332
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.1332	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.1332	1
Schistosoma mansoni	rab6-interacting	0.002	0.0868	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1332	0.1332
Leishmania major	cathepsin L-like protease	0.0065	0.4929	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0084	0.0084
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0755	0.0755
Onchocerca volvulus		0.0017	0.0594	0.0514
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.4929	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0594	0.0594
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.5144	0.5144
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0594	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.1332	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0755	0.0755
Brugia malayi	hypothetical protein	0.002	0.0868	0.0868
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.0594	0.1205
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0594	0.0594
Schistosoma mansoni	lipoxygenase	0.012	0.9918	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.1332	0.2702
Toxoplasma gondii	cathepsin CPL	0.0017	0.0594	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.1332	0.1332
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0594	0.0599
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0662	0.4972
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0594	0.4088
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Onchocerca volvulus		0.0017	0.0594	0.0514
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.7665	0.7729
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	0.4929	1
Brugia malayi	TAR-binding protein	0.0067	0.5144	0.5144
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.7665	0.7665
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0868	0.0875
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0868	0.0875
Mycobacterium ulcerans	hypothetical protein	0.0025	0.1332	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0868	0.0868
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.1332	1
Leishmania major	cathepsin L-like protease	0.0017	0.0594	0.1205
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0594	0.0599
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Loa Loa (eye worm)	fibroinase	0.0017	0.0594	0.0594
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0594	0.0599
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0868	0.0875
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0594	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0755	0.0755
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0594	0.0594
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0594	1
Leishmania major	cathepsin L-like protease	0.0065	0.4929	1
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.5144	0.5187
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0594	0.0599
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5144	0.5187
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.7665	0.7729
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.4929	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0868	0.0868
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0755	0.5671
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0084	0.0085
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0594	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.5144	0.5187
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.1332	1
Onchocerca volvulus		0.0025	0.1332	0.1258
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0594	0.0594
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.1332	0.1332
Brugia malayi	Doublecortin family protein	0.002	0.0868	0.0868
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.7665	0.7665

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: CHEMBL446304

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1176539