TDR Targets

Basic information

Technical information

TDR Targets ID: 1725649
Name: 3-amino-N-[4-[[3-propan-2-yl-5-[(2S,3R,4S,5S, 6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2- yl]oxy-2H-pyrazol-4-yl]methyl]phenyl]propanam ide
MW: 464.512 | Formula: C22H32N4O7
H donors: 7 H acceptors: 6 LogP: 0.19 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: NCCC(=O)Nc1ccc(cc1)Cc1c(n[nH]c1C(C)C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
InChi: 1S/C22H32N4O7/c1-11(2)17-14(9-12-3-5-13(6-4-12)24-16(28)7-8-23)21(26-25-17)33-22-20(31)19(30)18(29)15(10-27)32-22/h3-6,11,15,18-20,22,27,29-31H,7-10,23H2,1-2H3,(H,24,28)(H,25,26)/t15-,18-,19+,20-,22+/m1/s1
InChiKey: JLBLCJHPXPKDFS-PGPONNFDSA-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

3-amino-N-[4-[[3-isopropyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2H-pyrazol-4-yl]methyl]phenyl]propanamide
3-amino-N-[4-[[3-isopropyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2H-pyrazol-4-yl]methyl]phenyl]propanamide
3-amino-N-[4-[[3-isopropyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2H-pyrazol-4-yl]methyl]phenyl]propionamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 5 (sodium/glucose cotransporter), member 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 5 (sodium/glucose cotransporter), member 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	solute carrier family 5	Get druggable targets OG5_127197	All targets in OG5_127197
Schistosoma mansoni	inositol transporter	Get druggable targets OG5_127197	All targets in OG5_127197
Echinococcus multilocularis	sodium:glucose cotransporter 2	Get druggable targets OG5_127197	All targets in OG5_127197
Schistosoma mansoni	inositol transporter	Get druggable targets OG5_127197	All targets in OG5_127197
Schistosoma japonicum	ko:K03307 solute:Na+ symporter, SSS family, putative	Get druggable targets OG5_127197	All targets in OG5_127197
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127197	All targets in OG5_127197
Echinococcus multilocularis	sodium:myo inositol cotransporter	Get druggable targets OG5_127197	All targets in OG5_127197
Echinococcus granulosus	sodium:glucose cotransporter	Get druggable targets OG5_127197	All targets in OG5_127197
Echinococcus granulosus	sodium:myo inositol cotransporter	Get druggable targets OG5_127197	All targets in OG5_127197
Schistosoma japonicum	Sodium/myo-inositol cotransporter, putative	Get druggable targets OG5_127197	All targets in OG5_127197
Echinococcus granulosus	sodium:glucose cotransporter 2	Get druggable targets OG5_127197	All targets in OG5_127197
Echinococcus granulosus	solute carrier family 5	Get druggable targets OG5_127197	All targets in OG5_127197

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
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0126	0.0678	0.1296
Echinococcus multilocularis	peroxisome assembly protein 26	0.0183	0.2914	0.2235
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0183	0.2914	0.2235
Brugia malayi	Tubulin alpha-2 chain	0.0183	0.2914	0.4682
Echinococcus multilocularis	Tubulin beta 2C chain	0.0242	0.523	0.4773
Echinococcus granulosus	peroxisome assembly protein 26	0.0183	0.2914	0.2235
Trichomonas vaginalis	tubulin gamma chain, putative	0.0131	0.0874	0.1672
Echinococcus multilocularis	tubulin subunit beta	0.0242	0.523	0.4773
Entamoeba histolytica	tubulin family protein	0.0242	0.523	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0131	0.0874	0.1672
Trypanosoma brucei	alpha tubulin	0.0183	0.2914	0.4682
Trichomonas vaginalis	tubulin beta chain, putative	0.0183	0.2914	0.5571
Giardia lamblia	Beta tubulin	0.0242	0.523	1
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Echinococcus granulosus	beta tubulin	0.0242	0.523	0.4773
Leishmania major	beta tubulin	0.0242	0.523	1
Trypanosoma brucei	beta tubulin	0.0242	0.523	1
Leishmania major	beta tubulin	0.0242	0.523	1
Echinococcus granulosus	tubulin beta 1 chain	0.0242	0.523	0.4773
Trichomonas vaginalis	tubulin beta chain, putative	0.0183	0.2914	0.5571
Entamoeba histolytica	tubulin alpha-1 chain	0.0183	0.2914	0.4682
Toxoplasma gondii	beta tubulin	0.0242	0.523	1
Echinococcus granulosus	tubulin alpha chain	0.0183	0.2914	0.2235
Plasmodium vivax	tubulin beta chain, putative	0.0242	0.523	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0126	0.0678	0.1296
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0242	0.523	1
Leishmania major	beta tubulin	0.0242	0.523	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0242	0.523	0.4773
Toxoplasma gondii	alpha tubulin TUBA1	0.0183	0.2914	0.4682
Brugia malayi	beta-tubulin, identical	0.0242	0.523	1
Echinococcus granulosus	tubulin alpha chain	0.0183	0.2914	0.2235
Plasmodium falciparum	alpha tubulin 2	0.0183	0.2914	0.4682
Echinococcus multilocularis	tubulin subunit TubB	0.0183	0.2914	0.2235
Leishmania major	beta tubulin	0.0242	0.523	1
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Echinococcus multilocularis	tubulin alpha 1C chain	0.0183	0.2914	0.2235
Schistosoma mansoni	tubulin subunit beta	0.0242	0.523	0.4773
Loa Loa (eye worm)	tubulin beta-1 chain	0.0242	0.523	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0242	0.523	0.4773
Echinococcus granulosus	tubulin subunit beta	0.0242	0.523	0.4773
Echinococcus multilocularis	beta tubulin	0.0242	0.523	0.4773
Trichomonas vaginalis	tubulin beta chain, putative	0.0242	0.523	1
Loa Loa (eye worm)	tubulin gamma chain	0.0131	0.0874	0.1672
Trypanosoma cruzi	alpha tubulin, putative	0.0183	0.2914	0.4682
Toxoplasma gondii	alpha-tubulin I, putative	0.0183	0.2914	0.4682
Echinococcus granulosus	alpha tubulin	0.0183	0.2914	0.2235
Brugia malayi	alpha-tubulin	0.0183	0.2914	0.4682
Echinococcus granulosus	tubulin alpha 1C chain	0.0183	0.2914	0.2235
Echinococcus multilocularis	beta tubulin	0.0242	0.523	0.4773
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Leishmania major	beta tubulin	0.0242	0.523	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0183	0.2914	0.5571
Trypanosoma brucei	beta tubulin	0.0242	0.523	1
Brugia malayi	Tubulin alpha chain	0.0183	0.2914	0.4682
Schistosoma mansoni	alpha tubulin	0.0183	0.2914	0.2235
Trichomonas vaginalis	tubulin beta chain, putative	0.0183	0.2914	0.5571
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0183	0.2914	0.5571
Leishmania major	beta tubulin	0.0242	0.523	1
Leishmania major	beta tubulin	0.0242	0.523	1
Trypanosoma cruzi	beta tubulin, putative	0.0242	0.523	1
Schistosoma mansoni	tubulin subunit alpha	0.0183	0.2914	0.2235
Brugia malayi	tubulin alpha-2 chain	0.0183	0.2914	0.4682
Brugia malayi	tubulin alpha chain - mouse	0.0183	0.2914	0.4682
Loa Loa (eye worm)	BEN-1 protein	0.0242	0.523	1
Loa Loa (eye worm)	tubulin alpha chain	0.0183	0.2914	0.5571
Leishmania major	beta tubulin	0.0242	0.523	1
Trypanosoma brucei	alpha tubulin	0.0183	0.2914	0.4682
Echinococcus multilocularis	Tubulin beta 2C chain	0.0242	0.523	0.4773
Schistosoma mansoni	tubulin subunit alpha	0.0183	0.2914	0.2235
Schistosoma mansoni	alpha tubulin	0.0183	0.2914	0.2235
Echinococcus granulosus	tubulin alpha 3 chain	0.0183	0.2914	0.2235
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Plasmodium vivax	tubulin alpha chain, putative	0.0183	0.2914	0.4682
Echinococcus multilocularis	tubulin alpha chain	0.0183	0.2914	0.2235
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0242	0.523	0.4773
Loa Loa (eye worm)	tubulin beta-4 chain	0.0242	0.523	1
Schistosoma mansoni	tubulin subunit beta	0.0242	0.523	0.4773
Echinococcus granulosus	Tubulin alpha 1 chain	0.0183	0.2914	0.2235
Echinococcus granulosus	tubulin subunit TubB	0.0183	0.2914	0.2235
Toxoplasma gondii	beta-1 tubulin, putative	0.0242	0.523	1
Schistosoma mansoni	tubulin subunit beta	0.0242	0.523	0.4773
Echinococcus multilocularis	Tubulin beta 2C chain	0.0242	0.523	0.4773
Echinococcus granulosus	tubulin alpha 1C chain	0.0183	0.2914	0.2235
Plasmodium vivax	tubulin alpha chain, putative	0.0183	0.2914	0.4682
Trichomonas vaginalis	tubulin gamma chain, putative	0.0242	0.523	1
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Echinococcus multilocularis	hypothetical protein	0.0183	0.2914	0.2235
Schistosoma mansoni	tubulin subunit alpha	0.0183	0.2914	0.2235
Toxoplasma gondii	beta-tubulin, putative	0.0242	0.523	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0183	0.2914	0.2235
Entamoeba histolytica	tubulin alpha chain, putative	0.0183	0.2914	0.4682
Loa Loa (eye worm)	BEN-1 protein	0.0242	0.523	1
Plasmodium falciparum	tubulin beta chain	0.0242	0.523	1
Giardia lamblia	Alpha-tubulin	0.0183	0.2914	0.4682
Loa Loa (eye worm)	tubulin alpha chain	0.0183	0.2914	0.5571
Echinococcus multilocularis	tubulin alpha chain	0.0183	0.2914	0.2235
Loa Loa (eye worm)	tubulin alpha 2	0.0126	0.0678	0.1296
Schistosoma mansoni	tubulin subunit beta	0.0242	0.523	0.4773
Schistosoma mansoni	tubulin subunit beta	0.0242	0.523	0.4773
Echinococcus granulosus	beta tubulin	0.0242	0.523	0.4773
Leishmania major	beta tubulin	0.0242	0.523	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0131	0.0874	0.1672
Brugia malayi	Tubulin beta-1 chain	0.0242	0.523	1
Echinococcus multilocularis	tubulin alpha chain	0.0183	0.2914	0.2235
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0183	0.2914	0.5571
Echinococcus granulosus	Tubulin beta 2C chain	0.0242	0.523	0.4773
Trypanosoma brucei	beta tubulin	0.0242	0.523	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0183	0.2914	0.2235
Echinococcus granulosus	tubulin beta 4A class IVa	0.0242	0.523	0.4773
Schistosoma mansoni	alpha tubulin	0.0183	0.2914	0.2235
Echinococcus multilocularis	tubulin alpha 3 chain	0.0183	0.2914	0.2235
Schistosoma mansoni	tubulin subunit beta	0.0242	0.523	0.4773
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0183	0.2914	0.5571
Echinococcus granulosus	tubulin alpha chain	0.0183	0.2914	0.2235
Leishmania major	beta tubulin	0.0242	0.523	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0242	0.523	0.4773
Leishmania major	beta tubulin	0.0242	0.523	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0242	0.523	1
Leishmania major	beta tubulin	0.0242	0.523	1
Giardia lamblia	Beta tubulin	0.0242	0.523	1
Loa Loa (eye worm)	beta-tubulin	0.0242	0.523	1
Loa Loa (eye worm)	tubulin alpha 2	0.0126	0.0678	0.1296
Echinococcus granulosus	tubulin alpha chain	0.0183	0.2914	0.2235
Loa Loa (eye worm)	tubulin beta chain	0.0242	0.523	1
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Leishmania major	beta tubulin	0.0242	0.523	1
Leishmania major	beta tubulin	0.0242	0.523	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0183	0.2914	0.2235
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Echinococcus multilocularis	Tubulin beta 2C chain	0.0242	0.523	0.4773
Plasmodium falciparum	alpha tubulin 1	0.0183	0.2914	0.4682
Echinococcus granulosus	Tubulin beta 2C chain	0.0242	0.523	0.4773
Giardia lamblia	Alpha-tubulin	0.0183	0.2914	0.4682
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0242	0.523	1
Leishmania major	beta tubulin	0.0242	0.523	1
Echinococcus multilocularis	tubulin alpha chain	0.0183	0.2914	0.2235
Echinococcus multilocularis	tubulin beta 1 chain	0.0242	0.523	0.4773
Leishmania major	beta tubulin	0.0242	0.523	1
Echinococcus multilocularis	tubulin alpha chain	0.0183	0.2914	0.2235
Loa Loa (eye worm)	alpha-tubulin	0.0183	0.2914	0.5571
Trichomonas vaginalis	tubulin beta chain, putative	0.0183	0.2914	0.5571
Trypanosoma brucei	alpha tubulin	0.0183	0.2914	0.4682
Entamoeba histolytica	tubulin family protein	0.0242	0.523	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0242	0.523	1
Giardia lamblia	Beta tubulin	0.0242	0.523	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0242	0.523	0.4773
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0183	0.2914	0.2235
Trichomonas vaginalis	tubulin beta chain, putative	0.0183	0.2914	0.5571
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Brugia malayi	Tubulin alpha-2 chain	0.0183	0.2914	0.4682
Trichomonas vaginalis	tubulin, putative	0.0242	0.523	1
Trypanosoma brucei	beta tubulin	0.0242	0.523	1
Leishmania major	beta tubulin	0.0242	0.523	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0183	0.2914	0.2235
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0183	0.2914	0.5571
Echinococcus granulosus	tubulin alpha chain	0.0183	0.2914	0.2235
Loa Loa (eye worm)	alpha-tubulin	0.0183	0.2914	0.5571
Trypanosoma brucei	alpha tubulin	0.0183	0.2914	0.4682
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Echinococcus granulosus	tubulin alpha 3 chain	0.0183	0.2914	0.2235
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0183	0.2914	0.2235
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682
Loa Loa (eye worm)	hypothetical protein	0.0183	0.2914	0.5571
Leishmania major	beta tubulin	0.0242	0.523	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0678	0.1296
Leishmania major	alpha tubulin	0.0183	0.2914	0.4682

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 446 nM	Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake	ChEMBL.	23273606
IC50 (binding)	= 5620 nM	Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-AMG cellular uptake	ChEMBL.	23273606

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: CHEMBL2323691

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1725649