TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 208.209 | Formula: C8H16O6
H donors: 4 H acceptors: 4 LogP: -1.93 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(O)CO
InChi: 1S/C8H16O6/c1-2-13-3-5-6(10)7(11)8(12,4-9)14-5/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChiKey: XRXUJFDSCATVJW-NGJRWZKOSA-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
Echinococcus multilocularis	ATP synthase subunit delta, mitochondrial	0.0071	0.0179	0.0138
Plasmodium vivax	ATP synthase subunit gamma, mitochondrial, putative	0.0056	0.0122	0.4258
Echinococcus granulosus	DCN1 protein 1	0.0038	0.0049	0.0007
Onchocerca volvulus		0.0038	0.0049	0.0394
Schistosoma mansoni	ATP synthase F0 subunit 6	0.012	0.0377	0.929
Trypanosoma cruzi	ATPase subunit 9, putative	0.006	0.0135	0.0733
Mycobacterium ulcerans	F0F1 ATP synthase subunit B	0.1694	0.6646	1
Echinococcus multilocularis	DCN1 protein 1	0.0038	0.0049	0.0007
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0036	0.0041	0.0042
Brugia malayi	UBX domain containing protein	0.0038	0.0049	0.0007
Brugia malayi	ATP synthase alpha chain, mitochondrial precursor, putative	0.0084	0.023	0.019
Trichomonas vaginalis	Regulatory protein uhpC, putative	0.0064	0.0154	1
Mycobacterium leprae	PROBABLE ATP SYNTHASE C CHAIN ATPE (LIPID-BINDING PROTEIN) (DICYCLOHEXYLCARBODIIMIDE-BINDING PROTEIN)	0.006	0.0135	0.002
Brugia malayi	ATP synthase delta chain, mitochondrial precursor, putative	0.0071	0.0179	0.0138
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0064	0.0154	0.0169
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit C	0.006	0.0135	0.0763
Echinococcus multilocularis	mitochondrial ATP synthase subunit 9	0.006	0.0135	0.0094
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0154	1
Plasmodium vivax	ATP synthase lipid-binding protein, mitochondrial precursor, putative	0.006	0.0135	0.4938
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0509	0.1926	0.1893
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit epsilon	0.0071	0.0179	0.1126
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.2461	0.9705	1
Mycobacterium leprae	PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA	0.0084	0.023	0.0166
Trypanosoma cruzi	ATPase subunit 9, putative	0.006	0.0135	0.0733
Trichomonas vaginalis	Hexuronate transporter, putative	0.0064	0.0154	1
Trypanosoma brucei	hypothetical protein	0.0052	0.0105	0.0497
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit alpha	0.0084	0.023	0.1545
Echinococcus multilocularis	UBX	0.0038	0.0049	0.0007
Onchocerca volvulus	ATP synthase subunit delta, mitochondrial homolog	0.0071	0.0179	0.7292
Trypanosoma cruzi	UBX domain-containing protein	0.0038	0.0049	0.0059
Trypanosoma brucei	ATP synthase F1, alpha subunit	0.0071	0.0179	0.108
Schistosoma mansoni	ATP synthase lipid-binding protein-like protein	0.006	0.0135	0.2584
Leishmania major	ATPase subunit 9, putative	0.006	0.0135	0.0733
Toxoplasma gondii	SWI2/SNF2-containing protein RAD5	0.0038	0.0049	0.0008
Trichomonas vaginalis	transport proetin, putative	0.0064	0.0154	1
Mycobacterium tuberculosis	Probable ATP synthase C chain AtpE (lipid-binding protein) (dicyclohexylcarbodiimide-binding protein)	0.006	0.0135	0.014
Treponema pallidum	flagellum-specific ATP synthase (fliI)	0.0039	0.0052	1
Trypanosoma brucei	DNA-damage inducible protein DDI1-like protein	0.0038	0.0049	0.0059
Plasmodium falciparum	ATP synthase subunit C, putative	0.006	0.0135	0.4938
Schistosoma mansoni	ATP synthase gamma subunit	0.0056	0.0122	0.2228
Echinococcus granulosus	UBA	0.0038	0.0049	0.0007
Schistosoma mansoni	ATP synthase lipid-binding protein-like protein	0.006	0.0135	0.2584
Brugia malayi	chromosome 6 open reading frame 106	0.0038	0.0049	0.0007
Schistosoma mansoni	ATP synthase delta chain mitochondrial	0.0071	0.0179	0.3816
Echinococcus granulosus	NSFL1 cofactor p47	0.0038	0.0049	0.0007
Mycobacterium ulcerans	F0F1 ATP synthase subunit gamma	0.0056	0.0122	0.0122
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit beta	0.0039	0.0052	0.0084
Toxoplasma gondii	DUF298 domain-containing protein	0.0038	0.0049	0.0008
Leishmania major	C-8 sterol isomerase-like protein	0.0356	0.1315	1
Toxoplasma gondii	ATP synthase F0 subunit 9, putative	0.006	0.0135	0.0097
Entamoeba histolytica	hypothetical protein	0.0038	0.0049	1
Brugia malayi	RP42	0.0038	0.0049	0.0007
Mycobacterium leprae	PROBABLE ATP SYNTHASE EPSILON CHAIN ATPC	0.0071	0.0179	0.0088
Brugia malayi	hypothetical protein	0.0064	0.0154	0.0113
Schistosoma mansoni	hypothetical protein	0.0038	0.0049	0.0206
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0154	1
Leishmania major	ATPase subunit 9, putative	0.006	0.0135	0.0733
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0356	0.1315	0.1279
Leishmania major	hypothetical protein, conserved	0.0038	0.0049	0.0059
Mycobacterium leprae	PROBABLE ATP SYNTHASE A CHAIN ATPB (PROTEIN 6)	0.02	0.0693	0.0875
Mycobacterium leprae	PROBABLE ATP SYNTHASE B CHAIN ATPF	0.1694	0.6646	1
Trypanosoma brucei	ATP synthase F1, alpha subunit	0.0071	0.0179	0.108
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0049	0.0663
Leishmania major	ATPase subunit 9, putative	0.006	0.0135	0.0733
Plasmodium falciparum	ATP synthase subunit delta, mitochondrial, putative	0.0071	0.0179	0.7292
Schistosoma mansoni	faf1 protein	0.0038	0.0049	0.0206
Leishmania major	ATP synthase, epsilon chain, putative	0.0071	0.0179	0.1083
Echinococcus granulosus	traf and tnf receptor associated protein	0.2535	1	1
Onchocerca volvulus		0.0038	0.0049	0.0394
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0356	0.1315	1
Plasmodium falciparum	ATP synthase subunit beta, mitochondrial	0.0039	0.0052	0.0546
Plasmodium falciparum	ATP synthase subunit gamma, mitochondrial	0.0056	0.0122	0.4258
Mycobacterium ulcerans	F0F1 ATP synthase subunit A	0.02	0.0693	0.0986
Schistosoma mansoni	ATP synthase gamma subunit	0.0056	0.0122	0.2228
Trypanosoma brucei	Mitochondrial ATP synthase subunit c-1	0.006	0.0135	0.0733
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0154	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0509	0.1926	0.1893
Brugia malayi	hypothetical protein	0.0038	0.0049	0.0007
Trichomonas vaginalis	glucose-6-phosphate translocase, putative	0.0064	0.0154	1
Echinococcus multilocularis	ATP synthase subunit alpha, mitochondrial	0.0084	0.023	0.019
Loa Loa (eye worm)	ATP synthase subunit delta	0.0071	0.0179	0.0182
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0127	0.0403	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0127	0.0403	0.0363
Trypanosoma cruzi	UBX domain-containing protein	0.0038	0.0049	0.0059
Leishmania major	ATP synthase F1 subunit gamma protein, putative	0.0056	0.0122	0.0632
Echinococcus granulosus	5'partial\|ATP synthase subunit delta mitochondrial	0.0071	0.0179	0.0138
Echinococcus multilocularis	UBA	0.0038	0.0049	0.0007
Trypanosoma brucei	mitochondrial ATP synthase delta chain	0.0071	0.0179	0.1083
Toxoplasma gondii	hypothetical protein	0.0038	0.0049	0.0008
Trypanosoma brucei	ATP synthase F1 subunit gamma protein, putative	0.0056	0.0122	0.0632
Leishmania major	DNA-damage inducible protein DDI1-like protein	0.0038	0.0049	0.0059
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0036	0.0041	0.0042
Mycobacterium tuberculosis	Probable ATP synthase gamma chain AtpG	0.0056	0.0122	0.0121
Leishmania major	ATPase alpha subunit	0.0071	0.0179	0.108
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0154	1
Giardia lamblia	Sugar transport family protein	0.0064	0.0154	1
Mycobacterium ulcerans	F0F1 ATP synthase subunit beta	0.0039	0.0052	0.0016
Brugia malayi	ATP synthase beta chain, mitochondrial precursor, putative	0.0039	0.0052	0.001
Leishmania major	ATPase beta subunit, putative	0.0039	0.0052	0.0081
Brugia malayi	UBX domain containing protein	0.0038	0.0049	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0403	0.0409
Brugia malayi	ATP synthase lipid-binding protein, mitochondrial precursor	0.006	0.0135	0.0094
Trichomonas vaginalis	ubx domain containing protein, putative	0.0038	0.0049	0.0663
Trichomonas vaginalis	glucarate, hexuronate transporter, putative	0.0064	0.0154	1
Echinococcus granulosus	mitochondrial ATP synthase subunit 9	0.006	0.0135	0.0094
Echinococcus granulosus	ATP synthase subunit alpha mitochondrial	0.0084	0.023	0.019
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0049	0.0663
Trypanosoma cruzi	ATP synthase F1 subunit gamma protein, putative	0.0056	0.0122	0.0632
Echinococcus multilocularis	ATP synthase gamma subunit	0.0056	0.0122	0.0081
Echinococcus granulosus	ATP synthase subunit beta mitochondrial	0.0039	0.0052	0.001
Toxoplasma gondii	ATP synthase F1 gamma subunit	0.0056	0.0122	0.0083
Plasmodium vivax	ATP synthase subunit beta, mitochondrial, putative	0.0039	0.0052	0.0546
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.0179	0.7292
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit gamma	0.0056	0.0122	0.0658
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0038	0.0049	0.0394
Mycobacterium ulcerans	F0F1 ATP synthase subunit alpha	0.0084	0.023	0.0286
Mycobacterium tuberculosis	Probable ATP synthase a chain AtpB (protein 6)	0.02	0.0693	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0122	0.0124
Echinococcus multilocularis	traf and tnf receptor associated protein	0.2535	1	1
Schistosoma mansoni	ATP synthase gamma subunit	0.0056	0.0122	0.2228
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0036	0.0041	0.0042
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit A	0.02	0.0693	0.5319
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0049	0.0394
Mycobacterium tuberculosis	Probable ATP synthase beta chain AtpD	0.0089	0.0253	0.0318
Schistosoma mansoni	ATP synthase beta subunit	0.0039	0.0052	0.0286
Schistosoma mansoni	ATP synthase alpha subunit mitochondrial	0.0084	0.023	0.5233
Echinococcus granulosus	UBX	0.0038	0.0049	0.0007
Echinococcus granulosus	ATP synthase gamma subunit	0.0056	0.0122	0.0081
Onchocerca volvulus	ATP synthase subunit gamma, mitochondrial homolog	0.0056	0.0122	0.4258
Schistosoma mansoni	hypothetical protein	0.0038	0.0049	0.0206
Trypanosoma cruzi	ATPase subunit 9, putative	0.006	0.0135	0.0733
Trypanosoma cruzi	ATP synthase F1 subunit gamma protein, putative	0.0056	0.0122	0.0632
Trypanosoma cruzi	ATPase subunit 9, putative	0.006	0.0135	0.0733
Mycobacterium leprae	PROBABLE ATP SYNTHASE BETA CHAIN ATPD	0.0089	0.0253	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0041	0.0042
Plasmodium falciparum	UBX domain, putative	0.0038	0.0049	0.0394
Giardia lamblia	Hypothetical protein	0.0038	0.0049	0.0663
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0036	0.0041	0.0042
Echinococcus multilocularis	serotonin receptor	0.0127	0.0403	0.0363
Mycobacterium ulcerans	F0F1 ATP synthase subunit delta	0.0357	0.1319	0.1935
Trypanosoma brucei	Mitochondrial ATP synthase subunit c-2	0.006	0.0135	0.0733
Echinococcus multilocularis	FAS associated factor 1	0.0038	0.0049	0.0007
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0041	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0041	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0403	0.0409
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0622	0.0631
Onchocerca volvulus		0.0038	0.0049	0.0394
Mycobacterium tuberculosis	Probable ATP synthase epsilon chain AtpC	0.0071	0.0179	0.0207
Toxoplasma gondii	ATP synthase, putative	0.0071	0.0179	0.0143
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0154	1
Mycobacterium tuberculosis	Probable ATP synthase B chain AtpF	0.1694	0.6646	0.992
Mycobacterium ulcerans	F0F1 ATP synthase subunit C	0.006	0.0135	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0041	0.0042
Echinococcus multilocularis	ATP synthase subunit beta, mitochondrial	0.0039	0.0052	0.001
Loa Loa (eye worm)	CCR4-NOT transcription complex subunit 6 family protein	0.0036	0.0041	0.0042
Schistosoma mansoni	ubx domain containing protein	0.0038	0.0049	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0356	0.1315	0.1335
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0356	0.1315	1
Loa Loa (eye worm)	UBX domain-containing protein	0.0038	0.0049	0.005
Trichomonas vaginalis	hypothetical protein	0.0038	0.0049	0.0663
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0049	0.0663
Schistosoma mansoni	hypothetical protein	0.0038	0.0049	0.0206
Mycobacterium tuberculosis	Probable ATP synthase alpha chain AtpA	0.0084	0.023	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0049	0.005
Trichomonas vaginalis	glucarate, hexuronate transporter, putative	0.0064	0.0154	1
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.2497	0.9849	1
Leishmania major	ATPase beta subunit, putative	0.0039	0.0052	0.0081
Trichomonas vaginalis	ubx domain-containing protein, putative	0.0038	0.0049	0.0663
Echinococcus granulosus	FAS associated factor 1	0.0038	0.0049	0.0007
Chlamydia trachomatis	hexose phosphate transporter	0.0064	0.0154	1
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0049	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0049	0.005
Trypanosoma cruzi	ATPase subunit 9, putative	0.006	0.0135	0.0733
Trypanosoma brucei	Mitochondrial ATP synthase subunit c-3	0.006	0.0135	0.0733
Mycobacterium ulcerans	F0F1 ATP synthase subunit epsilon	0.0071	0.0179	0.0209
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0154	1
Brugia malayi	ATP synthase gamma chain, mitochondrial precursor, putative	0.0056	0.0122	0.0081
Mycobacterium tuberculosis	Probable ATP synthase delta chain AtpH	0.1707	0.6699	1
Plasmodium falciparum	ATP synthase F1, alpha subunit	0.0084	0.023	1
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit B	0.0343	0.1266	1
Onchocerca volvulus	ATP synthase subunit alpha, mitochondrial homolog	0.0084	0.023	1
Mycobacterium leprae	PROBABLE ATP SYNTHASE DELTA CHAIN ATPH	0.0357	0.1319	0.1835
Echinococcus multilocularis	NSFL1 cofactor p47	0.0038	0.0049	0.0007
Schistosoma mansoni	ATP synthase gamma subunit	0.0056	0.0122	0.2228
Plasmodium vivax	ATP synthase alpha chain, putative	0.0084	0.023	1
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0036	0.0041	0.0042
Toxoplasma gondii	ATP synthase beta subunit ATP-B	0.0039	0.0052	0.0011
Schistosoma mansoni	ATP synthase gamma subunit	0.0056	0.0122	0.2228
Trypanosoma cruzi	ATP synthase subunit beta, mitochondrial, putative	0.0039	0.0052	0.0081
Entamoeba histolytica	hypothetical protein	0.0038	0.0049	1
Echinococcus multilocularis	serotonin receptor	0.0127	0.0403	0.0363
Trypanosoma cruzi	ATP synthase, epsilon chain, putative	0.0071	0.0179	0.1083
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0064	0.0154	0.0919
Trichomonas vaginalis	Regulatory protein uhpC, putative	0.0064	0.0154	1
Trypanosoma brucei	ATP synthase subunit beta, mitochondrial	0.0039	0.0052	0.0081
Leishmania major	ATPase alpha subunit	0.0071	0.0179	0.108

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: CHEMBL2368601

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 1744385