TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 434.393 | Formula: C21H22O10
H donors: 8 H acceptors: 9 LogP: -0.31 Rotable bonds: 2
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)[C@]1(O)c2cc(C)cc(c2C(=O)c2c1cc(O)cc2O)O
InChi: 1S/C21H22O10/c1-7-2-9-14(11(24)3-7)17(27)15-10(4-8(23)5-12(15)25)21(9,30)20-19(29)18(28)16(26)13(6-22)31-20/h2-5,13,16,18-20,22-26,28-30H,6H2,1H3/t13-,16-,18+,19-,20-,21+/m1/s1
InChiKey: MTRZNLNUNVGZPP-YHFJPUIQSA-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
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0142	0.8304	1
Schistosoma mansoni	hypothetical protein	0.0034	0.1612	0.1593
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.1143	0.6337
Loa Loa (eye worm)	RNA binding protein	0.0063	0.3409	0.3876
Loa Loa (eye worm)	fatty acid synthase	0.0024	0.1028	0.115
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.5157	0.5146
Mycobacterium ulcerans	polyketide synthase Pks9	0.0016	0.0531	0.2941
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0021	0.0793	0.4398
Mycobacterium ulcerans	polyketide synthase	0.0026	0.1143	0.6337
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.258	0.2927
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1612	0.1819
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0024	0.1001	0.5551
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0026	0.1143	0.6337
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.8304	0.83
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.3409	0.3876
Schistosoma mansoni	hypothetical protein	0.0169	1	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.1048	0.581
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0026	0.1143	0.6337
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.19	0.2148
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.5157	0.5146
Brugia malayi	Blistered cuticle protein 3	0.0038	0.19	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.3409	0.3876
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0026	0.1143	0.6337
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0488	0.0533
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0026	0.1143	0.6337
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.1143	0.6337
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.19	0.2148
Onchocerca volvulus	Peroxidase homolog	0.0038	0.19	0.7172
Onchocerca volvulus		0.0043	0.218	0.9285
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0024	0.1001	0.5551
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.0948	0.1059
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0948	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.1048	0.581
Brugia malayi	RNA binding protein	0.0063	0.3409	0.3876
Schistosoma mansoni	hypothetical protein	0.0016	0.0488	0.0466
Echinococcus granulosus	cathepsin b	0.0142	0.8304	0.83
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3409	0.3393
Loa Loa (eye worm)	hypothetical protein	0.0149	0.8759	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.3409	0.3876
Echinococcus multilocularis	cathepsin b	0.0142	0.8304	0.83
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1612	0.1819
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5157	0.5146
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0025	0.1048	0.581
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0025	0.1048	0.581
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0018	0.0618	0.3424
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0025	0.1048	0.581
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0025	0.1048	0.581
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0047	0.2419	0.2401
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0041	0.2087	0.2363
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0016	0.0531	0.2941
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.001	0.0138	0.0765
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.8304	0.83
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3409	0.3393
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0008	0.0045	0.0251
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0488	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Schistosoma mansoni	hypothetical protein	0.0169	1	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0025	0.1048	0.581
Onchocerca volvulus		0.0038	0.19	0.7172
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0047	0.2417	0.274
Schistosoma mansoni	peroxidasin	0.0038	0.19	0.1881
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0037	0.1804	1
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.19	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0488	0.0533
Mycobacterium leprae	Polyketide synthase Pks13	0.0037	0.1804	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0142	0.8304	0.83
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.5157	0.5877
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.6904	0.7876
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0488	0.0466
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5157	0.5146
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0021	0.0793	0.4398
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Echinococcus granulosus	muscleblind protein	0.0149	0.8759	0.8756
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Giardia lamblia	Cathepsin B precursor	0.0047	0.2419	0.5
Loa Loa (eye worm)	cathepsin B	0.0047	0.2419	0.2743
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.8304	0.83
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0488	0.0466
Loa Loa (eye worm)	acyl carrier protein	0.0011	0.0223	0.0229
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0026	0.1143	0.6337
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.19	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.5157	0.5146
Schistosoma mansoni	hypothetical protein	0.0016	0.0488	0.0466
Schistosoma mansoni	hypothetical protein	0.0016	0.0488	0.0466
Mycobacterium ulcerans	thioesterase	0.0021	0.0793	0.4398
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.002	0.075	0.4155
Onchocerca volvulus		0.0038	0.19	0.7172
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Mycobacterium ulcerans	polyketide synthase	0.0025	0.1048	0.581
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0037	0.1804	1
Onchocerca volvulus		0.0038	0.19	0.7172
Onchocerca volvulus	Peroxidasin homolog	0.0038	0.19	0.7172
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0026	0.1143	0.6337
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0016	0.0531	0.2941
Echinococcus granulosus	peroxidasin	0.0038	0.19	0.1881
Echinococcus granulosus	tar DNA binding protein	0.0063	0.3409	0.3393
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.002	0.077	0.4267
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0025	0.1048	0.1174
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3409	0.3393
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Giardia lamblia	Cathepsin B precursor	0.0047	0.2419	0.5
Toxoplasma gondii	cathepsin B	0.0047	0.2419	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0488	0.0466
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.19	0.2148
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.19	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Onchocerca volvulus	Peroxidasin homolog	0.0038	0.19	0.7172
Brugia malayi	TAR-binding protein	0.0063	0.3409	0.3876
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.19	0.2148
Onchocerca volvulus	Chorion peroxidase homolog	0.0038	0.19	0.7172
Brugia malayi	hypothetical protein	0.0038	0.19	0.2148
Onchocerca volvulus	Peroxidase homolog	0.0038	0.19	0.7172
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3409	0.3393
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.8759	0.8756
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.3409	0.3393
Echinococcus granulosus	cathepsin b	0.0142	0.8304	0.83
Schistosoma mansoni	peroxidasin	0.0038	0.19	0.1881
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0047	0.2419	0.5
Echinococcus multilocularis	muscleblind protein	0.0149	0.8759	0.8756
Brugia malayi	Animal haem peroxidase family protein	0.0038	0.19	0.2148
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5157	0.5146
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0488	0.0466
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.1048	0.581
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0488	0.0533
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.002	0.075	0.4155
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.5157	0.5877
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.5157	0.5146
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0376	0.0404
Toxoplasma gondii	type I fatty acid synthase, putative	0.0026	0.1143	0.4001
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.258	0.2927
Giardia lamblia	Cathepsin B precursor	0.0047	0.2419	0.5
Echinococcus granulosus	GPCR family 2	0.0016	0.0488	0.0466
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0023	0.0948	0.5254
Brugia malayi	cathepsin B-like cysteine proteinase	0.0142	0.8304	0.948
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0488	0.0533
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0025	0.1048	0.581
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.6904	0.7876
Mycobacterium ulcerans	polyketide synthase Pks13	0.0037	0.1804	1
Brugia malayi	Muscleblind-like protein	0.0149	0.8759	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Onchocerca volvulus	Fatty acid synthase homolog	0.0045	0.2275	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3409	0.3393
Loa Loa (eye worm)	animal heme peroxidase	0.0038	0.19	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0149	0.8759	1
Brugia malayi	MH2 domain containing protein	0.0119	0.6904	0.7876
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0047	0.2419	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0488	0.0466
Echinococcus multilocularis	peroxidasin	0.0038	0.19	0.1881
Loa Loa (eye worm)	hypothetical protein	0.0049	0.258	0.2927
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0016	0.0511	0.103
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0047	0.2419	0.5
Echinococcus multilocularis	geminin	0.0169	1	1
Echinococcus multilocularis	cathepsin b	0.0142	0.8304	0.83
Brugia malayi	Peroxidasin	0.0038	0.19	0.2148
Mycobacterium ulcerans	thioesterase TesA	0.0021	0.0793	0.4398
Loa Loa (eye worm)	hypothetical protein	0.0038	0.19	0.2148
Toxoplasma gondii	type I fatty acid synthase, putative	0.0018	0.0608	0.1484
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.258	0.2927
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.002	0.075	0.4155
Onchocerca volvulus	Dual oxidase homolog	0.0038	0.19	0.7172
Loa Loa (eye worm)	blistered cuticle protein 3	0.0038	0.19	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0142	0.8304	0.948
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0014	0.0389	0.2155

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: CHEMBL2398009

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 1764559