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

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: CHEMBL3143944

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 1846541