Detailed information for compound 34676

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.41 | Formula: C12H19NO10S2
  • H donors: 1 H acceptors: 4 LogP: -0.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NS(=O)(=O)OC[C@]12OC[C@@H]3[C@H]([C@@H]2OC2(O1)CCCCC2)OS(=O)(=O)O3
  • InChi: 1S/C12H19NO10S2/c13-24(14,15)19-7-12-10(20-11(23-12)4-2-1-3-5-11)9-8(6-18-12)21-25(16,17)22-9/h8-10H,1-7H2,(H2,13,14,15)/t8-,9-,10+,12+/m1/s1
  • InChiKey: NMHHLZOJKIPPCZ-SVDPJWKOSA-N  


Substructure search Similarity search

Network

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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
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0054 0.0672 0.0668
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.4267 0.4265
Loa Loa (eye worm) hypothetical protein 0.0341 0.4771 0.4769
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0303 0.2269
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0226 0.04
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0054 0.0672 0.121
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0195 0.0351
Brugia malayi Amino acid permease family protein 0.0054 0.0669 0.0666
Schistosoma mansoni hypothetical protein 0.0306 0.4267 0.4265
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0054 0.0672 1
Schistosoma mansoni ferritin light chain 0.0008 0.0014 0.001
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0054 0.0672 1
Trichomonas vaginalis ran, putative 0.0021 0.0195 0.0345
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0706 1 1
Echinococcus granulosus solute carrier family 12 0.0054 0.0669 0.0666
Loa Loa (eye worm) hypothetical protein 0.0054 0.0669 0.0666
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0395 0.5549 0.5548
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0054 0.0672 0.0668
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0706 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0226 0.0057
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0341 0.4771 0.4769
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0054 0.0672 0.0891
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0395 0.5549 0.5548
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0395 0.5549 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0672 0.1204
Echinococcus granulosus importin subunit beta 1 0.0029 0.0303 0.0299
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0395 0.5549 0.5548
Loa Loa (eye worm) hypothetical protein 0.0047 0.0559 0.0555
Echinococcus granulosus ferritin 0.0008 0.0014 0.001
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0395 0.5549 0.5548
Schistosoma mansoni solute carrier family 12 electroneutral k-cl cotransporter 0.0054 0.0669 0.0666
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0195 0.0191
Loa Loa (eye worm) hypothetical protein 0.0054 0.0669 0.0666
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0054 0.0672 0.0891
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0054 0.0672 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0395 0.5549 0.5548
Loa Loa (eye worm) hypothetical protein 0.0054 0.0669 0.0666
Echinococcus multilocularis snurportin 1 0.0306 0.4267 0.4265
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0054 0.0672 0.0668
Schistosoma mansoni ferritin light chain 0.0008 0.0014 0.001
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0054 0.0672 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0054 0.0672 0.5
Leishmania major importin beta-1 subunit, putative 0.0023 0.0226 0.0057
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0054 0.0672 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0395 0.5549 1
Schistosoma mansoni ferritin 0.0008 0.0014 0.001
Leishmania major fk506-binding protein 1-like protein 0.0395 0.5549 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0395 0.5549 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0669 0.0666
Plasmodium falciparum importin beta, putative 0.0029 0.0303 0.0202
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0395 0.5549 0.5548
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0395 0.5549 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0672 0.1204
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0395 0.5549 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0014 0.0018
Schistosoma mansoni ferritin 0.0008 0.0014 0.001
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0706 1 1
Echinococcus multilocularis ferritin 0.0008 0.0014 0.001
Trichomonas vaginalis fk506-binding protein, putative 0.0054 0.0672 0.1204
Trichomonas vaginalis fk506 binding protein, putative 0.0054 0.0672 0.1204
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0395 0.5549 0.5548
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0195 0.0191
Giardia lamblia Hypothetical protein 0.0054 0.0672 0.0891
Loa Loa (eye worm) hypothetical protein 0.0047 0.0559 0.0555
Echinococcus multilocularis expressed protein 0.0008 0.0014 0.001
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Loa Loa (eye worm) hypothetical protein 0.0054 0.0669 0.0666
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0054 0.0672 0.0891
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0054 0.0672 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0395 0.5549 1
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0054 0.0672 0.121
Loa Loa (eye worm) hypothetical protein 0.0054 0.0669 0.0666
Schistosoma mansoni ferritin 0.0008 0.0014 0.001
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0395 0.5549 1
Echinococcus granulosus FK506 binding protein 2 0.0054 0.0672 0.0668
Schistosoma mansoni importin beta-1 0.0029 0.0303 0.0299
Schistosoma mansoni immunophilin 0.0341 0.4771 0.4769
Mycobacterium ulcerans hypothetical protein 0.0054 0.0672 0.1204
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0054 0.0672 0.0668
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0303 0.0299
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0226 0.04
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0395 0.5549 1
Schistosoma mansoni fk506 binding protein 0.0054 0.0672 0.0668
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.0014 0.015
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD) 0.0054 0.0672 0.1189
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0303 0.0546
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0054 0.0672 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0672 0.0668
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0226 0.04
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0395 0.5549 1
Trichomonas vaginalis immunophilin, putative 0.0395 0.5549 1
Leishmania major peptidylprolyl isomerase-like protein 0.0395 0.5549 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Brugia malayi Hypothetical 112.3 kDa protein K02A2.3 in chromosome II 0.0054 0.0669 0.0666
Echinococcus multilocularis 0.0054 0.0672 0.0668
Schistosoma mansoni serine/threonine protein kinase 0.0706 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0303 0.0546
Schistosoma mansoni ran 0.0021 0.0195 0.0191
Brugia malayi Importin beta-1 subunit 0.0029 0.0303 0.0299
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0706 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0559 0.0555
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0054 0.0672 0.0891
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0672 0.121
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.0672 0.121
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0195 0.0191
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0395 0.5549 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0195 0.0191
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0395 0.5549 1
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.0014 0.015
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0054 0.0672 0.0891
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0054 0.0672 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0706 1 1
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0054 0.0672 0.0668
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0395 0.5549 1
Echinococcus multilocularis fk506 binding protein 0.0395 0.5549 0.5548
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0395 0.5549 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0341 0.4771 0.4769
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.0014 0.015
Echinococcus multilocularis solute carrier family 12 0.0054 0.0669 0.0666
Schistosoma mansoni apoferritin-2 0.0008 0.0014 0.001
Loa Loa (eye worm) amino acid permease 0.0054 0.0669 0.0666
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0395 0.5549 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0395 0.5549 1
Brugia malayi RNA, U transporter 1 0.0081 0.1058 0.1055
Trichomonas vaginalis fk506-binding protein, putative 0.0054 0.0672 0.1204
Schistosoma mansoni ferritin 0.0008 0.0014 0.001
Plasmodium vivax importin-beta 2, putative 0.0029 0.0303 0.0202
Schistosoma mansoni immunophilin 0.0395 0.5549 0.5548
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0054 0.0672 0.0668
Loa Loa (eye worm) hypothetical protein 0.0047 0.0559 0.0555
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Loa Loa (eye worm) hypothetical protein 0.0047 0.0559 0.0555
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0054 0.0672 0.0668
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0054 0.0672 0.0891
Schistosoma mansoni hypothetical protein 0.0054 0.0672 0.0668
Trichomonas vaginalis fk506-binding protein, putative 0.0395 0.5549 1
Echinococcus granulosus expressed protein 0.0008 0.0014 0.001
Onchocerca volvulus 0.0054 0.0672 0.0668
Loa Loa (eye worm) hypothetical protein 0.0054 0.0669 0.0666
Entamoeba histolytica hypothetical protein 0.0023 0.0226 0.0057
Trichomonas vaginalis ferritin, putative 0.0008 0.0014 0.0018
Schistosoma mansoni immunophilin 0.0395 0.5549 0.5548
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0014 0.0018
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Onchocerca volvulus 0.0054 0.0672 0.0668
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0395 0.5549 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0054 0.0672 0.0668
Schistosoma mansoni ran 0.0021 0.0195 0.0191
Schistosoma mansoni apoferritin-2 0.0008 0.0014 0.001
Loa Loa (eye worm) hypothetical protein 0.0047 0.0559 0.0555
Echinococcus granulosus snurportin 1 0.0306 0.4267 0.4265
Loa Loa (eye worm) hypothetical protein 0.0029 0.0303 0.0299
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0054 0.0672 0.0891
Loa Loa (eye worm) FKBP5 protein 0.0395 0.5549 0.5548
Loa Loa (eye worm) hypothetical protein 0.0047 0.0559 0.0555
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0706 1 1

Activities

Activity type Activity value Assay description Source Reference
Block (functional) = 0 % Activity against maximal electroshock seizures in mice, 4 hr following oral administration of 75 mg/kg ChEMBL. 9548821
Block (functional) = 0 % Activity against maximal electroshock seizures in mice, 4 hr following oral administration of 75 mg/kg ChEMBL. 9548821
Block (functional) = 10 % Activity against maximal electroshock seizures in mice, 4 hr following oral administration of 300 mg/kg of compound ChEMBL. 9548821
Block (functional) = 10 % Activity against maximal electroshock seizures in mice, 4 hr following oral administration of 300 mg/kg of compound ChEMBL. 9548821

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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