Detailed information for compound 1172602

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.391 | Formula: C16H19NO5S
  • H donors: 4 H acceptors: 5 LogP: 0.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](c2ncc(s2)Cc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C16H19NO5S/c18-8-11-12(19)13(20)14(21)15(22-11)16-17-7-10(23-16)6-9-4-2-1-3-5-9/h1-5,7,11-15,18-21H,6,8H2/t11-,12-,13+,14-,15-/m1/s1
  • InChiKey: BSYYGZFJQIYYIE-UXXRCYHCSA-N  


Substructure search Similarity search

Network

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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 mansoni inositol transporter 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 granulosus solute carrier family 5 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 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
Echinococcus multilocularis sodium:glucose cotransporter 2 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 multilocularis sodium:myo inositol cotransporter 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: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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0058 0.031 0.2532
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.1602 0.4396
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0088 0.0654 0.0622
Schistosoma mansoni hypothetical protein 0.0054 0.0272 0.0653
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0272 0.0239
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0068 0.0432 0.04
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.0285 0.0253
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0182 0.0406
Brugia malayi RNA, U transporter 1 0.0095 0.0729 0.195
Echinococcus granulosus high affinity choline transporter 1 0.0046 0.0182 0.0406
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0068 0.0432 0.1091
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.0285 0.0303
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.1068 0.8342
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0272 0.0239
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0348 0.3601 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.0285 0.0689
Schistosoma mansoni inositol transporter 0.0181 0.1715 0.4606
Schistosoma mansoni hypothetical protein 0.0337 0.348 0.9441
Brugia malayi glutathione reductase 0.0055 0.0275 0.0677
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.0285 0.0253
Trypanosoma cruzi fatty acid desaturase, putative 0.0348 0.3601 1
Brugia malayi latrophilin 2 splice variant baaae 0.0117 0.0986 0.267
Schistosoma mansoni sodium/solute symporter 0.0046 0.0182 0.0406
Plasmodium vivax importin-beta 2, putative 0.0033 0.0034 0.0093
Echinococcus granulosus solute carrier family 5 0.0181 0.1715 0.4606
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0372 0.034
Loa Loa (eye worm) hypothetical protein 0.0046 0.0182 0.0406
Brugia malayi mbt repeat family protein 0.0055 0.0285 0.0706
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0654 0.5
Schistosoma mansoni hypothetical protein 0.0117 0.0986 0.261
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.1068 0.8342
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0432 0.1091
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0171 0.1602 0.4296
Brugia malayi GH02984p 0.0046 0.0182 0.0415
Brugia malayi Thioredoxin reductase 0.0055 0.0275 0.0677
Schistosoma mansoni jumonji domain containing protein 0.0068 0.0432 0.1091
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0058 0.031 0.037
Plasmodium falciparum importin beta, putative 0.0033 0.0034 0.0093
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.0285 0.0689
Trypanosoma brucei fatty acid desaturase, putative 0.0348 0.3601 1
Echinococcus multilocularis GPCR, family 2 0.0054 0.0272 0.0239
Toxoplasma gondii thioredoxin reductase 0.0055 0.0275 0.4207
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0275 0.0661
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0034 0.0514
Loa Loa (eye worm) hypothetical protein 0.0054 0.0272 0.0653
Brugia malayi Calcitonin receptor-like protein seb-1 0.0171 0.1602 0.4396
Loa Loa (eye worm) hypothetical protein 0.0046 0.0182 0.0406
Trypanosoma brucei trypanothione reductase 0.0055 0.0275 0.0677
Loa Loa (eye worm) hypothetical protein 0.0117 0.0986 0.261
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0372 0.0928
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0432 0.1091
Echinococcus granulosus geminin 0.019 0.1818 0.4887
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0182 0.0415
Onchocerca volvulus 0.0055 0.0285 0.0303
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0372 0.095
Loa Loa (eye worm) acyl-CoA desaturase 0.0348 0.3601 0.9773
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0272 0.0653
Schistosoma mansoni hypothetical protein 0.0056 0.0287 0.0695
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0138 0.1225 1
Plasmodium falciparum glutathione reductase 0.0055 0.0275 0.0764
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0181 0.1715 0.1687
Onchocerca volvulus 0.0056 0.0287 0.0309
Brugia malayi acyl-CoA desaturase 0.0348 0.3601 1
Echinococcus multilocularis geminin 0.019 0.1818 0.179
Schistosoma mansoni survival motor neuron protein 0.0056 0.0287 0.0695
Schistosoma mansoni hypothetical protein 0.0054 0.0272 0.0653
Brugia malayi jmjC domain containing protein 0.0068 0.0432 0.1116
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0372 0.0928
Echinococcus granulosus peptidase Clp S14 family 0.0058 0.031 0.0758
Onchocerca volvulus 0.0348 0.3601 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0088 0.0654 0.5
Plasmodium falciparum thioredoxin reductase 0.0055 0.0275 0.0764
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0182 0.2779
Echinococcus multilocularis lysine specific demethylase 5A 0.0068 0.0432 0.04
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0182 0.0149
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0088 0.0654 0.5
Plasmodium falciparum stearoyl-CoA desaturase 0.0348 0.3601 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.1068 0.8342
Schistosoma mansoni inositol transporter 0.0181 0.1715 0.4606
Loa Loa (eye worm) MBCTL1 0.0063 0.0372 0.0928
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0275 0.0242
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0654 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0654 1
Echinococcus multilocularis solute carrier family 5 0.0181 0.1715 0.1687
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0372 0.034
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0355 0.3684 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0372 0.0928
Schistosoma mansoni hypothetical protein 0.019 0.1818 0.4887
Echinococcus granulosus sodium:myo inositol cotransporter 0.0181 0.1715 0.4606
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0138 0.1225 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0348 0.3601 1
Echinococcus multilocularis snurportin 1 0.0355 0.3684 0.3663
Echinococcus granulosus snurportin 1 0.0355 0.3684 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0088 0.0654 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0285 0.0689
Loa Loa (eye worm) glutathione reductase 0.0055 0.0275 0.0661
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0272 0.0653
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.0285 0.0689
Leishmania major fatty-acid desaturase, putative 0.0348 0.3601 1
Onchocerca volvulus 0.0348 0.3601 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0124 0.1068 0.8715
Schistosoma mansoni hypothetical protein 0.019 0.1818 0.4887
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0058 0.031 0.037
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0285 0.0689
Schistosoma mansoni hypothetical protein 0.0054 0.0272 0.0653
Echinococcus multilocularis peptidase Clp (S14 family) 0.0058 0.031 0.0277
Echinococcus multilocularis survival motor neuron protein 1 0.0273 0.2751 0.2726
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.1068 0.8342
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0432 0.1091
Schistosoma mansoni hypothetical protein 0.0054 0.0272 0.0653
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0272 0.0668
Echinococcus granulosus sodium:glucose cotransporter 0.0181 0.1715 0.4606
Leishmania major stearic acid desaturase, putative 0.0348 0.3601 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.2751 0.7442
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0654 0.5
Loa Loa (eye worm) hypothetical protein 0.0088 0.0654 0.1699
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0218 0.2135 0.2108
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.1068 0.8342
Mycobacterium tuberculosis Probable reductase 0.0124 0.1068 0.8342
Echinococcus granulosus survival motor neuron protein 1 0.0273 0.2751 0.7442
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0088 0.0654 0.1816
Schistosoma mansoni hypothetical protein 0.0355 0.3684 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.1602 0.4296
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0088 0.0654 0.1699
Brugia malayi hypothetical protein 0.0273 0.2751 0.7616
Echinococcus multilocularis high affinity choline transporter 1 0.0046 0.0182 0.0149
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0218 0.2135 0.5756
Mycobacterium tuberculosis Probable oxidoreductase 0.0138 0.1225 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0272 0.0653
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0272 0.0668
Trypanosoma cruzi fatty acid desaturase, putative 0.0348 0.3601 1
Schistosoma mansoni high-affinity choline transporter 0.0046 0.0182 0.0406
Brugia malayi mbt repeat family protein 0.0055 0.0285 0.0706
Brugia malayi Probable ClpP-like protease 0.0088 0.0654 0.1739
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0088 0.0654 0.5337
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0088 0.0654 0.1816
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0088 0.0654 0.5
Brugia malayi jmjC domain containing protein 0.0068 0.0432 0.1116
Schistosoma mansoni peptidase Clp (S14 family) 0.0088 0.0654 0.1699
Plasmodium vivax glutathione reductase, putative 0.0055 0.0275 0.0764
Echinococcus granulosus GPCR family 2 0.0054 0.0272 0.0653
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0275 0.0764
Loa Loa (eye worm) hypothetical protein 0.0055 0.0285 0.0689
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0181 0.1715 0.1687
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0275 0.0661
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0285 0.0689
Echinococcus granulosus sodium:glucose cotransporter 2 0.0181 0.1715 0.4606
Loa Loa (eye worm) hypothetical protein 0.0063 0.0372 0.0928
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0138 0.1225 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0287 0.0711
Echinococcus granulosus lysine specific demethylase 5A 0.0068 0.0432 0.1091

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Inhibition of human SGLT2 ChEMBL. 20637636

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

Bibliographic References

1 literature reference was collected for this gene.

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