TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 476.947 | Formula: C25H29ClO7
H donors: 4 H acceptors: 4 LogP: 2.46 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)OCCOCC#CC)Cl)[C@@H]([C@H]([C@@H]1O)O)O
InChi: 1S/C25H29ClO7/c1-2-3-10-31-11-12-32-19-7-4-16(5-8-19)13-18-14-17(6-9-20(18)26)25-24(30)23(29)22(28)21(15-27)33-25/h4-9,14,21-25,27-30H,10-13,15H2,1H3/t21-,22-,23+,24-,25+/m1/s1
InChiKey: LYBVLIVIUABQJO-RXFVIIJJSA-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

No synonyms found for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma japonicum	expressed protein	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
Echinococcus multilocularis	sodium:myo inositol cotransporter	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
Echinococcus granulosus	sodium:glucose cotransporter	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
Schistosoma mansoni	inositol transporter	Get druggable targets OG5_127197	All targets in OG5_127197
Echinococcus multilocularis	solute carrier family 5	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 mansoni	inositol transporter	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
Schistosoma mansoni	high-affinity choline transporter	0.0046	0.1355	0.1355
Onchocerca volvulus		0.0076	0.3253	1
Onchocerca volvulus		0.0051	0.1646	0.1534
Brugia malayi	Cathepsin L-like precursor	0.0076	0.3253	0.5065
Entamoeba histolytica	cysteine proteinase, putative	0.0076	0.3253	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Schistosoma mansoni	inositol transporter	0.0181	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0039	0.0897	0.0897
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0897	0.1396
Echinococcus multilocularis	solute carrier family 5	0.0181	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Echinococcus granulosus	cathepsin l1	0.0076	0.3253	0.273
Onchocerca volvulus		0.0076	0.3253	1
Plasmodium vivax	vivapain-2	0.0076	0.3253	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0076	0.3253	0.273
Loa Loa (eye worm)	hypothetical protein	0.0109	0.5362	0.8349
Onchocerca volvulus		0.0076	0.3253	1
Schistosoma mansoni	voltage-gated potassium channel	0.0137	0.716	0.716
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0076	0.3253	0.4715
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.1646	0.15
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0076	0.3253	0.273
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Leishmania major	cathepsin L-like protease	0.0076	0.3253	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0076	0.3253	0.5065
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0076	0.3253	0.5065
Trypanosoma cruzi	cysteine peptidase, putative	0.0039	0.0897	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Echinococcus multilocularis	cathepsin L cysteine protease	0.0076	0.3253	0.273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.1646	0.15
Echinococcus granulosus	cathepsin l1	0.0051	0.1646	0.0999
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0076	0.3253	1
Leishmania major	cathepsin L-like protease	0.0076	0.3253	0.5
Echinococcus multilocularis	cysteine protease	0.0076	0.3253	0.273
Onchocerca volvulus	Cathepsin L homolog	0.0076	0.3253	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0117	0.5894	1
Onchocerca volvulus		0.0076	0.3253	1
Brugia malayi	Sodium:solute symporter family protein	0.0046	0.1355	0.211
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1355	0.211
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Onchocerca volvulus		0.0076	0.3253	1
Brugia malayi	Cathepsin L-like precursor	0.0051	0.1646	0.2564
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0126	0.6422	0.6145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0181	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0117	0.5894	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.3253	0.5065
Leishmania major	cathepsin L-like protease	0.0076	0.3253	0.5
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0181	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0036	0.072	0.072
Trypanosoma cruzi	cysteine peptidase, putative	0.0076	0.3253	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Leishmania major	cysteine peptidase A (CPA)	0.0076	0.3253	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Leishmania major	cathepsin L-like protease	0.0076	0.3253	0.5
Echinococcus granulosus	high affinity choline transporter 1	0.0046	0.1355	0.0685
Echinococcus granulosus	cysteine protease	0.0039	0.0897	0.0191
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0076	0.3253	0.4715
Trypanosoma cruzi	cysteine peptidase, putative	0.0076	0.3253	1
Loa Loa (eye worm)	cysteine protease	0.0076	0.3253	0.5065
Trypanosoma cruzi	cysteine proteinase, putative	0.0039	0.0897	0.2757
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0046	0.1355	0.0685
Onchocerca volvulus		0.0076	0.3253	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Plasmodium vivax	vivapain-3	0.0039	0.0897	0.2757
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0181	1	1
Loa Loa (eye worm)	ctsf protein	0.0076	0.3253	0.5065
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0076	0.3253	1
Echinococcus granulosus	solute carrier family 5	0.0181	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0039	0.0897	0.2757
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0051	0.1646	0.2564
Entamoeba histolytica	cysteine proteinase, putative	0.0076	0.3253	1
Onchocerca volvulus	Cathepsin F homolog	0.0076	0.3253	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0076	0.3253	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0039	0.0897	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1646	0.2564
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0126	0.6422	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Echinococcus granulosus	cathepsin L cysteine protease	0.0039	0.0897	0.0191
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0036	0.072	0.112
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1646	0.2564
Brugia malayi	Cathepsin L-like precursor	0.0076	0.3253	0.5065
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0076	0.3253	0.3253
Brugia malayi	Cathepsin L-like precursor	0.0076	0.3253	0.5065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0181	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0126	0.6422	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0076	0.3253	0.273
Leishmania major	cathepsin L-like protease	0.0076	0.3253	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0051	0.1646	0.1646
Plasmodium vivax	vivapain-2	0.0076	0.3253	1
Onchocerca volvulus	Cathepsin L homolog	0.0076	0.3253	1
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0046	0.1355	0.0685
Entamoeba histolytica	cysteine proteinase, putative	0.0051	0.1646	0.3182
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0039	0.0897	0.2757
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0076	0.3253	0.273
Leishmania major	cathepsin L-like protease	0.0076	0.3253	0.5
Echinococcus granulosus	cathepsin L	0.0039	0.0897	0.0191
Leishmania major	cathepsin L-like protease	0.0076	0.3253	0.5
Plasmodium vivax	unspecified product	0.0039	0.0897	0.2757
Toxoplasma gondii	cathepsin CPL	0.0076	0.3253	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Schistosoma mansoni	inositol transporter	0.0181	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0076	0.3253	0.5065
Brugia malayi	GH02984p	0.0046	0.1355	0.211
Brugia malayi	Papain family cysteine protease containing protein	0.0039	0.0897	0.1396
Echinococcus multilocularis	cathepsin L	0.0039	0.0897	0.0191
Brugia malayi	Cathepsin L-like precursor	0.0076	0.3253	0.5065
Onchocerca volvulus		0.0076	0.3253	1
Schistosoma mansoni	voltage-gated potassium channel	0.0137	0.716	0.716
Schistosoma mansoni	voltage-gated potassium channel	0.0036	0.072	0.072
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Brugia malayi	Cathepsin L-like precursor	0.0051	0.1646	0.2564
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Echinococcus multilocularis	cysteine protease	0.0076	0.3253	0.273
Trypanosoma cruzi	cysteine protease, putative	0.0039	0.0897	0.2757
Entamoeba histolytica	cysteine protease, putative	0.0076	0.3253	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0039	0.0897	0.0897
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Plasmodium vivax	vivapain-1	0.0039	0.0897	0.2757
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.3253	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0076	0.3253	0.4715
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0051	0.1646	0.5061
Brugia malayi	Cathepsin L-like precursor	0.0076	0.3253	0.5065
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0126	0.6422	0.6145
Trypanosoma cruzi	cysteine peptidase, putative	0.0076	0.3253	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0076	0.3253	1
Leishmania major	cathepsin L-like protease	0.0076	0.3253	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0076	0.3253	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0076	0.3253	0.3253
Loa Loa (eye worm)	fibroinase	0.0076	0.3253	0.5065
Brugia malayi	cathepsin L-like precursor	0.0051	0.1646	0.2564
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Schistosoma mansoni	sodium/solute symporter	0.0046	0.1355	0.1355
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1646	0.2564
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1355	0.211
Loa Loa (eye worm)	hypothetical protein	0.0036	0.072	0.112
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0076	0.3253	0.273
Echinococcus multilocularis	high affinity choline transporter 1	0.0046	0.1355	0.0685
Brugia malayi	Cathepsin L-like precursor	0.0076	0.3253	0.5065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0076	0.3253	0.4715

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1000 nM	Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 1.5 hrs by scintillation counting in presence of 25 % human plasma	ChEMBL.	21737266
Inhibition (binding)	= 61 %	Inhibition of human SGLT2 expressed in human 293 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake at 10 nM after 1.5 hrs by scintillation counting in presence of 25 % human plasma	ChEMBL.	21737266

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: CHEMBL1808387

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 1025871