Detailed information for compound 513217

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.591 | Formula: C26H29N3O5S
  • H donors: 2 H acceptors: 5 LogP: 3.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)C(C)(C)Oc2c1cc(cn2)C(=O)N(c1ccccc1)C
  • InChi: 1S/C26H29N3O5S/c1-5-17-11-13-20(14-12-17)35(32,33)28-22-21-15-18(16-27-24(21)34-26(2,3)23(22)30)25(31)29(4)19-9-7-6-8-10-19/h6-16,22-23,28,30H,5H2,1-4H3/t22-,23+/m1/s1
  • InChiKey: BWGLRFNBIFZEKM-PKTZIBPZSA-N  

Network

Hover on a compound node to display the structore

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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0061 0.4861 0.5
Giardia lamblia Aldose reductase 0.0061 0.4861 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.009 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Plasmodium falciparum L-lactate dehydrogenase 0.009 1 1
Entamoeba histolytica aldose reductase, putative 0.0061 0.4861 0.4861
Entamoeba histolytica malate dehydrogenase, putative 0.009 1 1
Echinococcus multilocularis aldehyde reductase 0.0044 0.1611 0.1611
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.009 1 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.4861 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Loa Loa (eye worm) oxidoreductase 0.0061 0.4861 0.4861
Echinococcus multilocularis aldo keto reductase 0.0061 0.4861 0.4861
Giardia lamblia Aldose reductase 0.0061 0.4861 1
Trypanosoma brucei prostaglandin f synthase 0.0061 0.4861 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.4861 1
Echinococcus multilocularis lactate dehydrogenase a 0.009 1 1
Echinococcus granulosus lactate dehydrogenase a 0.009 1 1
Mycobacterium ulcerans oxidoreductase 0.0061 0.4861 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.4861 0.4861
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.009 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Echinococcus granulosus aldehyde reductase 0.0044 0.1611 0.1611
Echinococcus granulosus lactate dehydrogenase protein 0.009 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0061 0.4861 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.4861 0.4861
Plasmodium falciparum malate dehydrogenase 0.009 1 1
Echinococcus granulosus aldo keto reductase 0.0061 0.4861 0.4861
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Echinococcus granulosus L lactate dehydrogenase 0.0055 0.3641 0.3641
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Schistosoma mansoni aldo-keto reductase 0.0061 0.4861 0.4861
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Schistosoma mansoni L-lactate dehydrogenase 0.009 1 1
Leishmania major malate dehydrogenase, putative 0.009 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Mycobacterium leprae Conserved hypothetical protein 0.0044 0.1611 0.3314
Onchocerca volvulus 0.0061 0.4861 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Toxoplasma gondii malate dehydrogenase MDH 0.009 1 1
Loa Loa (eye worm) oxidoreductase 0.0061 0.4861 0.4861
Trypanosoma brucei aldo-keto reductase, putative 0.0061 0.4861 1
Loa Loa (eye worm) oxidoreductase 0.0061 0.4861 0.4861
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.4861 0.4861
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.4861 0.4861
Chlamydia trachomatis malate dehydrogenase 0.0035 0 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.4861 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0061 0.4861 0.4861
Schistosoma mansoni malate dehydrogenase 0.009 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0061 0.4861 0.4861
Leishmania major aldo-keto reductase-like protein 0.0061 0.4861 0.4861
Plasmodium vivax lactate dehydrogenase 0.009 1 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.009 1 1
Leishmania major prostaglandin f synthase, putative 0.0061 0.4861 0.4861
Echinococcus multilocularis aldo keto reductase 0.0061 0.4861 0.4861
Echinococcus multilocularis lactate dehydrogenase a 0.009 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0061 0.4861 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Onchocerca volvulus 0.0061 0.4861 0.5
Echinococcus multilocularis lactate dehydrogenase protein 0.009 1 1
Schistosoma mansoni pol-related 0.0061 0.4861 0.4861
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Onchocerca volvulus 0.0061 0.4861 0.5
Echinococcus granulosus hypothetical protein 0.0061 0.4861 0.4861
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Echinococcus granulosus L lactate dehydrogenase B chain 0.009 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Entamoeba histolytica aldose reductase, putative 0.0061 0.4861 0.4861
Echinococcus granulosus aldo keto reductase 0.0061 0.4861 0.4861
Loa Loa (eye worm) oxidoreductase 0.0061 0.4861 0.4861
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0061 0.4861 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Onchocerca volvulus 0.0061 0.4861 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Echinococcus multilocularis aldo keto reductase 0.0061 0.4861 0.4861
Loa Loa (eye worm) oxidoreductase 0.0061 0.4861 0.4861
Echinococcus multilocularis lactate dehydrogenase a 0.009 1 1
Echinococcus granulosus aldo keto reductase 0.0061 0.4861 0.4861
Schistosoma mansoni aldo-keto reductase 0.0061 0.4861 0.4861
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.4861 0.4861
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.4861 1
Echinococcus multilocularis L lactate dehydrogenase 0.0055 0.3641 0.3641
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.4861 1
Plasmodium vivax malate dehydrogenase, putative 0.009 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861
Onchocerca volvulus 0.0061 0.4861 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.4861 0.4861
Echinococcus granulosus lactate dehydrogenase a 0.009 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.4861 1
Entamoeba histolytica aldose reductase, putative 0.0061 0.4861 0.4861
Trypanosoma cruzi aldo-keto reductase 0.0061 0.4861 1
Echinococcus multilocularis aldo keto reductase 0.0061 0.4861 0.4861
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.4861 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.4861 0.4861

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 12 % Inhibition of human Kv1.5 channel expressed in mouse L929 cells assessed as blockade of ultra rapidly activating potassium current at 1 uM by volatge clamp technique ChEMBL. 18374568
Inhibition (binding) = 12 % Inhibition of human Kv1.5 channel expressed in mouse L929 cells assessed as blockade of ultra rapidly activating potassium current at 1 uM by volatge clamp technique ChEMBL. 18374568

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

No external resources registered for this compound

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.