TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 574.601 | Formula: C33H35O7P
H donors: 1 H acceptors: 2 LogP: 4.45 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(cc1)[P@]1(=O)O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1O)OCc1ccccc1)OCc1ccccc1
InChi: 1S/C33H35O7P/c1-36-28-17-19-29(20-18-28)41(35)33(34)32(39-23-27-15-9-4-10-16-27)31(38-22-26-13-7-3-8-14-26)30(40-41)24-37-21-25-11-5-2-6-12-25/h2-20,30-34H,21-24H2,1H3/t30-,31-,32+,33+,41+/m1/s1
InChiKey: MDUFVVBHQMAWAS-JBNMQUFGSA-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 brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1223	0.3564	0.279
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.2945	1	1
Loa Loa (eye worm)	hypothetical protein	0.0621	0.1311	0.0984
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.2683	0.2407
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0557	0.1073	0.1073
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0987	0.2683	0.2683
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1759	0.5569	0.5402
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0987	0.2683	0.2215
Brugia malayi	SH2 domain containing protein	0.1125	0.3196	0.2761
Loa Loa (eye worm)	phosphatidylinositol 3	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0557	0.1073	0.0737
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2342	0.7747	0.7663
Echinococcus granulosus	serine protein kinase ATM	0.0557	0.1073	0.1073
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0987	0.2683	0.1803
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.2945	1	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0557	0.1073	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.2683	0.2407
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.2683	0.2407
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0987	0.2683	0.2683
Loa Loa (eye worm)	phosphatidylinositol 3	0.0987	0.2683	0.2407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0557	0.1073	0.0737
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0557	0.1073	0.0503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2342	0.7747	0.7663
Loa Loa (eye worm)	hypothetical protein	0.0431	0.0601	0.0247
Toxoplasma gondii	target of rapamycin (TOR), putative	0.219	0.7179	1
Trichomonas vaginalis	conserved hypothetical protein	0.0431	0.0601	0.0247
Trichomonas vaginalis	PIKK family atypical protein kinase	0.159	0.4935	0.4745
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0431	0.0601	0.0601
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.7179	0.7073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1742	0.5504	0.5335
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0987	0.2683	0.1803
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0987	0.2683	0.2683
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0557	0.1073	0.0503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1588	0.4926	0.4735
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0557	0.1073	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1759	0.5569	0.5402
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1588	0.4926	0.4735
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2342	0.7747	0.7663
Trichomonas vaginalis	PIKK family atypical protein kinase	0.159	0.4935	0.4745
Trypanosoma cruzi	target of rapamycin kinase 3	0.2345	0.7757	0.7672
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0286	0.0062	0.0062
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0987	0.2683	0.2407
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2945	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0621	0.1311	0.039
Echinococcus multilocularis	serine protein kinase ATM	0.0557	0.1073	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2514	0.839	0.833
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2342	0.7747	0.7663
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1393	0.4197	0.35
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.7179	0.7073
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0557	0.1073	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0557	0.1073	0.0737
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.2945	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.7179	0.7073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.159	0.4935	0.4745
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0557	0.1073	0.0737
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.2345	0.7757	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.2683	0.2407
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0431	0.0601	0.0601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2342	0.7747	0.7663
Trichomonas vaginalis	PIKK family atypical protein kinase	0.159	0.4935	0.4745
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0286	0.0062	0.0062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1975	0.6376	0.6239
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.7179	0.7073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1588	0.4926	0.4735
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1742	0.5504	0.5335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1759	0.5569	0.5402
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.7179	0.7073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.079	0.1945	0.1641
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.7179	0.7073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1912	0.6138	0.5992
Loa Loa (eye worm)	hypothetical protein	0.06	0.1235	0.0904
Loa Loa (eye worm)	hypothetical protein	0.1125	0.3196	0.294
Schistosoma mansoni	hypothetical protein	0.0431	0.0601	0.0601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.219	0.7179	0.7073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0987	0.2683	0.2407
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.2945	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0557	0.1073	0.0737
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0987	0.2683	0.2407
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0557	0.1073	0.0737
Giardia lamblia	GTOR	0.2945	1	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.2945	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0621	0.1311	0.0984
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.2345	0.7757	0.7487
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.2945	1	1

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: CHEMBL2031058

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 1694276