TDR Targets

Basic information

Technical information

TDR Targets ID: 2093331
Name: 5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6- dimethyloxan-2-yl]oxy-2-(4-methoxyphenyl)-N-( phenylmethyl)benzamide
MW: 507.575 | Formula: C29H33NO7
H donors: 3 H acceptors: 3 LogP: 3.35 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(cc1)c1ccc(cc1C(=O)NCc1ccccc1)O[C@@H]1OC(C)(C)[C@@H]([C@H]([C@H]1O)O)OC
InChi: 1S/C29H33NO7/c1-29(2)26(35-4)24(31)25(32)28(37-29)36-21-14-15-22(19-10-12-20(34-3)13-11-19)23(16-21)27(33)30-17-18-8-6-5-7-9-18/h5-16,24-26,28,31-32H,17H2,1-4H3,(H,30,33)/t24-,25+,26+,28+/m0/s1
InChiKey: MHNIVZGWSZKEQG-QALYSUAOSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-2-(4-methoxyphenyl)-N-(phenylmethyl)benzamide
5-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-2-tetrahydropyranyl]oxy]-2-(4-methoxyphenyl)-N-(phenylmethyl)benzamide
N-(benzyl)-5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-2-(4-methoxyphenyl)benzamide
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyl-oxan-2-yl]oxy-2-(4-methoxyphenyl)-N-(phenylmethyl)benzamide

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	guanine nucleotide binding protein G(s) subunit	0.0055	0.0397	0.1387
Brugia malayi	MH1 domain containing protein	0.0005	0.0008	0.0008
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0187	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Trichomonas vaginalis	ran, putative	0.0026	0.0166	0.8795
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.0041	0.0041
Brugia malayi	RNA, U transporter 1	0.0099	0.0737	0.0737
Echinococcus multilocularis	cpg binding protein	0.0036	0.0243	0.0851
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0048	0.0167
Echinococcus multilocularis	importin 5	0.0007	0.0018	0.0063
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0238	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0397	0.1387
Schistosoma mansoni	smad1 5 8 and	0.001	0.0041	0.0143
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0187	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0397	0.1387
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0026	0.0166	0.0582
Brugia malayi	Smad1	0.001	0.0041	0.0041
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0041	0.0143
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.0229	0.0229
Onchocerca volvulus		0.0034	0.0229	1
Loa Loa (eye worm)	hypothetical protein	0.1289	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0026	0.0477
Loa Loa (eye worm)	nuclear factor I	0.0005	0.0008	0.0008
Leishmania major	GTP-binding protein, putative	0.0026	0.0166	0.8795
Schistosoma mansoni	hypothetical protein	0.0372	0.2859	1
Brugia malayi	MH1 domain containing protein	0.001	0.0041	0.0041
Echinococcus granulosus	importin 5	0.0007	0.0018	0.0063
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0026	0.0477
Leishmania major	importin beta-1 subunit, putative	0.0028	0.0187	1
Schistosoma mansoni	ran	0.0026	0.0166	0.0582
Echinococcus multilocularis	smad	0.001	0.0041	0.0143
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0041	0.0143
Echinococcus multilocularis	Smad4	0.001	0.0041	0.0143
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0064	0.0463	1
Brugia malayi	MH1 domain containing protein	0.0005	0.0008	0.0008
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Schistosoma mansoni	cpg binding protein	0.0036	0.0243	0.0851
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0397	0.0397
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0004	0.0015
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0238	0.0832
Brugia malayi	kap beta 3 protein	0.0007	0.0018	0.0018
Brugia malayi	MH1 domain containing protein	0.001	0.0041	0.0041
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0041	0.0143
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0238	0.4943
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0026	0.0166	0.0582
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0008
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.0522	0.1825
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0032	0.0111
Brugia malayi	MH2 domain containing protein	0.001	0.0041	0.0041
Trichomonas vaginalis	helicase, putative	0.0008	0.0026	0.0477
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0047	0.0047
Loa Loa (eye worm)	kap beta 3 protein	0.0007	0.0018	0.0018
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0238	1
Echinococcus granulosus	transportin 1	0.0007	0.0018	0.0063
Echinococcus multilocularis	translational activator gcn1	0.0007	0.0018	0.0063
Echinococcus granulosus	Smad4	0.001	0.0041	0.0143
Schistosoma mansoni	ran	0.0026	0.0166	0.0582
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0026	0.0477
Entamoeba histolytica	hypothetical protein	0.0028	0.0187	1
Schistosoma mansoni	smad1 5 8 and	0.001	0.0041	0.0143
Loa Loa (eye worm)	Smad1	0.001	0.0041	0.0041
Brugia malayi	CXXC zinc finger family protein	0.0034	0.0229	0.0229
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0032	0.0111
Plasmodium falciparum	importin beta, putative	0.0035	0.0238	1
Echinococcus granulosus	snurportin 1	0.0372	0.2859	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0026	0.0477
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.0187	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0026	0.0477
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.0187	1
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0048	0.0048
Echinococcus granulosus	cpg binding protein	0.0036	0.0243	0.0851
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0238	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0032	0.0111
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.1289	1	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0041	0.0143
Schistosoma mansoni	importin beta-1	0.0035	0.0238	0.0832
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0026	0.0166	0.0166
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0048	0.0167
Schistosoma mansoni	smad	0.001	0.0041	0.0143
Echinococcus granulosus	translational activator gcn1	0.0007	0.0018	0.0063
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.0041	0.0041
Echinococcus multilocularis	snurportin 1	0.0372	0.2859	1
Loa Loa (eye worm)	hypothetical protein	0.1289	1	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0026	0.0166	0.6744
Brugia malayi	MH2 domain containing protein	0.014	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0238	0.0238
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0397	0.1387
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.1054	0.1054
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0397	0.1387
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0026	0.0477
Loa Loa (eye worm)	importin-beta domain-containing protein	0.0007	0.0018	0.0018
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0026	0.0166	0.3334
Schistosoma mansoni	importin-beta 2	0.0007	0.0018	0.0063
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0026	0.0166	0.6744
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0026	0.0477
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	0.2859	0.2859
Schistosoma mansoni	cpg binding protein	0.0036	0.0243	0.0851
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0032	0.0111
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0397	0.1387
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0026	0.0166	0.0166
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0026	0.0166	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0041	0.0143
Echinococcus multilocularis	transportin 1	0.0007	0.0018	0.0063
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0026	0.0166	0.6744
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0026	0.0477
Brugia malayi	MH2 domain containing protein	0.001	0.0041	0.0041
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0238	0.0832
Entamoeba histolytica	Ran family GTPase	0.0026	0.0166	0.8795
Schistosoma mansoni	Smad4	0.001	0.0041	0.0143
Schistosoma mansoni	cpg binding protein	0.0034	0.0229	0.0799
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0397	0.1387
Schistosoma mansoni	smad1 5 8 and	0.001	0.0041	0.0143
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0032	0.0111
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Echinococcus granulosus	smad	0.001	0.0041	0.0143
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0026	0.0477
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0397	0.0397
Brugia malayi	Importin beta-1 subunit	0.0035	0.0238	0.0238
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.1054	0.1054

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: CHEMBL3560705

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 2093331