TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 673.875 | Formula: C35H63NO11
H donors: 4 H acceptors: 5 LogP: 3.05 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@H]([C@@H](C(=C)C[C@@H]([C@@H]([C@H]2C)O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)C)O)C)O[C@H]([C@@H]1O)C
InChi: 1S/C35H63NO11/c1-16-13-17(2)32(47-35-31(40)25(36(10)11)14-18(3)43-35)21(6)33(46-27-15-26(42-12)30(39)24(9)44-27)22(7)34(41)45-23(8)19(4)29(38)20(5)28(16)37/h17-33,35,37-40H,1,13-15H2,2-12H3/t17-,18+,19-,20-,21+,22+,23+,24-,25-,26-,27-,28+,29-,30-,31+,32-,33-,35-/m0/s1
InChiKey: WHKOVLXQMZDBAS-HBFYLZSMSA-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	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Loa Loa (eye worm)	phosphatidylinositol 3	0.019	0.0259	0.0076
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0151	0.0168	0.0258
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.2047	0.4592	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.019	0.0259	0.0396
Leishmania major	oligopeptidase b	0.0483	0.0942	0.1215
Trichomonas vaginalis	conserved hypothetical protein	0.0162	0.0194	0.1572
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0194	0.0011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0168	0.1278
Brugia malayi	prolyl oligopeptidase family protein	0.2882	0.6538	0.6469
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0055	0.0004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0081	0.0291
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0483	0.0942	0.0763
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0162	0.0194	0.0041
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.019	0.0259	0.0142
Mycobacterium tuberculosis	Probable peptidase	0.0483	0.0942	0.5
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.022	0.0329	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0078	0.0262
Plasmodium vivax	hypothetical protein, conserved	0.0483	0.0942	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0081	0.0291
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0162	0.0194	0.0041
Loa Loa (eye worm)	hypothetical protein	0.022	0.0329	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0055	0.0004
Brugia malayi	prolyl oligopeptidase family protein	0.0483	0.0942	0.0763
Toxoplasma gondii	hypothetical protein	0.0483	0.0942	0.1792
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Entamoeba histolytica	hypothetical protein, conserved	0.0483	0.0942	1
Giardia lamblia	GTOR	0.019	0.0259	0.0861
Loa Loa (eye worm)	hypothetical protein	0.1565	0.3466	0.3344
Toxoplasma gondii	serine carboxypeptidase s28 protein	0.0162	0.0194	0.011
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.019	0.0259	0.0142
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.019	0.0259	0.0066
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.019	0.0259	0.0142
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.2882	0.6538	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0259	0.2298
Trypanosoma cruzi	oligopeptidase b	0.0483	0.0942	0.1215
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0483	0.0942	0.1215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0078	0.0262
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0285	0.0481	0.0379
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0145	0.102
Brugia malayi	hypothetical protein	0.1565	0.3466	0.3337
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0483	0.0942	0.1441
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0162	0.0194	0.0165
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0483	0.0942	0.0763
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.019	0.0259	0.0396
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0483	0.0942	1
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0285	0.0481	0.3838
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0168	0.1278
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0145	0.102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0145	0.102
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0194	0.0011
Brugia malayi	WGR domain containing protein	0.022	0.0329	0.0137
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.022	0.0329	0.0251
Brugia malayi	prolyl oligopeptidase family protein	0.0483	0.0942	0.0763
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0127	0.0113	0.0656
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0194	0.0011
Trypanosoma brucei	poly(adp-ribose) polymerase	0.022	0.0329	0.0502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0055	0.0004
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.019	0.0259	0.0861
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.019	0.0259	0.0861
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0483	0.0942	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.2882	0.6538	1
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0081	0.0291
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0483	0.0942	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.019	0.0259	0.0142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0055	0.0004
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0483	0.0942	0.0763
Trypanosoma cruzi	putative prolyl carboxypeptidase, putative	0.0162	0.0194	0.0041
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0145	0.102
Trypanosoma brucei	oligopeptidase b	0.0483	0.0942	0.1441
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0483	0.0942	0.5
Brugia malayi	WGR domain containing protein	0.0285	0.0481	0.0293
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0162	0.0194	0.0089
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0145	0.102
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.2882	0.6538	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0145	0.102
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Loa Loa (eye worm)	prolyl oligopeptidase	0.0483	0.0942	0.0773
Trypanosoma cruzi	hypothetical protein, conserved	0.0483	0.0942	0.1215
Loa Loa (eye worm)	hypothetical protein	0.0483	0.0942	0.0773
Trypanosoma cruzi	hypothetical protein, conserved	0.0483	0.0942	0.1215
Trypanosoma cruzi	oligopeptidase b	0.0483	0.0942	0.1215
Echinococcus multilocularis	prolyl endopeptidase	0.0483	0.0942	0.0915
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0285	0.0481	0.0452
Brugia malayi	prolyl oligopeptidase family protein	0.0483	0.0942	0.0763
Toxoplasma gondii	prolyl endopeptidase	0.0483	0.0942	0.1792
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.009	0.0025	0.0039
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0483	0.0942	0.1441
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0483	0.0942	0.0763
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.3016	0.6851	0.6789
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0291	0.0495	0.0785
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0942	1
Plasmodium falciparum	peptidase, putative	0.0483	0.0942	0.5
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0483	0.0942	0.5
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0483	0.0942	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0103	0.0549
Trichomonas vaginalis	lysosomal pro-X carboxypeptidase, putative	0.0162	0.0194	0.1572
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0483	0.0942	1
Trichomonas vaginalis	prolylcarboxypeptidase, putative	0.0162	0.0194	0.1572
Loa Loa (eye worm)	hypothetical protein	0.019	0.0259	0.0076
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0483	0.0942	0.1215
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.019	0.0259	0.0066
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.022	0.0329	0.0251
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0285	0.0481	0.0293
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.022	0.0329	0.0299
Trichomonas vaginalis	prolylcarboxypeptidase, putative	0.0162	0.0194	0.1572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0168	0.1278
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Echinococcus granulosus	acylamino acid releasing enzyme	0.0483	0.0942	0.0845
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.3016	0.6851	0.6817
Echinococcus granulosus	Dipeptidyl peptidase 9	0.2882	0.6538	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0483	0.0942	0.0773
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.2882	0.6538	1
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0168	0.1278
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0194	0.0011
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.2882	0.6538	0.6527
Loa Loa (eye worm)	hypothetical protein	0.1317	0.2888	0.2755
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0483	0.0942	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0483	0.0942	0.1215
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.2882	0.6538	0.6469
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.019	0.0259	0.0066
Trypanosoma cruzi	prolyl endopeptidase	0.0483	0.0942	0.1215
Trichomonas vaginalis	conserved hypothetical protein	0.0162	0.0194	0.1572
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0483	0.0942	0.1215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0259	0.2298
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0483	0.0942	0.0763
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0483	0.0942	1
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0483	0.0942	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0259	0.2298
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.3016	0.6851	0.6842
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0483	0.0942	0.0915
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0483	0.0942	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.019	0.0259	0.0154
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0168	0.1278
Trypanosoma brucei	prolyl endopeptidase	0.0483	0.0942	0.1441
Echinococcus granulosus	poly adp ribose polymerase 2	0.022	0.0329	0.0225
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0145	0.102
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.2882	0.6538	1
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0483	0.0942	1
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0483	0.0942	0.1792
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0483	0.0942	0.1441
Echinococcus granulosus	prolyl endopeptidase	0.0483	0.0942	0.0845
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.019	0.0259	0.0229
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0162	0.0194	0.1572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0162	0.0194	0.1569

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: CHEMBL1957032

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 1617538