Detailed information for compound 1806493

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.438 | Formula: C16H26O7S
  • H donors: 0 H acceptors: 2 LogP: 1.92 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1CC[C@@H]2[C@@]34C1CC[C@](OO3)(O[C@H]4O[C@]2(C)COS(=O)(=O)C)C
  • InChi: 1S/C16H26O7S/c1-10-5-6-12-14(2,9-19-24(4,17)18)20-13-16(12)11(10)7-8-15(3,21-13)22-23-16/h10-13H,5-9H2,1-4H3/t10-,11?,12+,13-,14-,15+,16-/m1/s1
  • InChiKey: BUJUQUNXTMGMHU-URPPFPHBSA-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
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.6208 1
Entamoeba histolytica hypothetical protein 0.0039 0.1175 0.1016
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0077 0.3339 0.3339
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0077 0.3339 0.3339
Schistosoma mansoni hypothetical protein 0.0182 0.918 0.918
Toxoplasma gondii thioredoxin reductase 0.0051 0.1853 0.555
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0077 0.3339 0.3339
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.1853 0.555
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0077 0.3339 0.3339
Echinococcus granulosus geminin 0.0182 0.918 0.918
Schistosoma mansoni hypothetical protein 0.0182 0.918 0.918
Trypanosoma brucei trypanothione reductase 0.0051 0.1853 0.1853
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0197 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0177 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0197 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.1853 0.1853
Brugia malayi glutathione reductase 0.0051 0.1853 0.1853
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.1853 0.1853
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0177 0.0177
Plasmodium vivax glutathione reductase, putative 0.0051 0.1853 0.555
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1119 0.1119
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1175 0.1175
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0177 1
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0077 0.3339 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0026 0.0444 0.0444
Schistosoma mansoni ap endonuclease 0.0021 0.0177 0.0177
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.5486 0.8837
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0177 0.0177
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0026 0.0444 0.0444
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0177 0.0177
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0026 0.0444 0.0444
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1175 0.1175
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0077 0.3339 1
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0026 0.0444 0.0444
Brugia malayi Thioredoxin reductase 0.0051 0.1853 0.1853
Echinococcus multilocularis ubiquitin specific protease 41 0.0197 1 1
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0077 0.3339 0.3219
Brugia malayi DNA polymerase delta catalytic subunit 0.0077 0.3339 0.3339
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0026 0.0444 0.0444
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0197 1 1
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0077 0.3339 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.6208 1
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0026 0.0444 0.0444
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0077 0.3339 0.3339
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.1853 0.2985
Mycobacterium tuberculosis Probable reductase 0.0116 0.5486 0.8837
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0026 0.0444 0.0444
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0177 0.0177
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0197 1 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0197 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0197 1 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.1853 0.1706
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0197 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0177 0.0177
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0026 0.0444 0.0444
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0197 1 1
Plasmodium vivax DNA polymerase alpha, putative 0.0026 0.0444 0.1328
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.2091 0.2091
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.6208 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0177 0.0177
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0177 0.053
Loa Loa (eye worm) hypothetical protein 0.0038 0.1119 0.0959
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.2091 0.2091
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0026 0.0444 0.0444
Echinococcus multilocularis geminin 0.0182 0.918 0.918
Echinococcus granulosus ubiquitin specific protease 41 0.0197 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.5486 0.8837
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0197 1 1
Loa Loa (eye worm) hypothetical protein 0.0197 1 1
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0026 0.0444 0.0444
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0177 0.0177
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0026 0.0444 0.0271
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.1853 0.1706
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.5486 0.8837
Schistosoma mansoni hypothetical protein 0.0038 0.1119 0.1119
Schistosoma mansoni ap endonuclease 0.0021 0.0177 0.0177
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0026 0.0444 0.0444
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0077 0.3339 0.3339
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0177 0.053
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0026 0.0444 0.0444
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0026 0.0444 0.0444
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0077 0.3339 0.3219
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0177 0.0177
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0197 1 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0197 1 1
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0026 0.0444 0.0444
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.6208 1
Brugia malayi DNA polymerase alpha catalytic subunit 0.0026 0.0444 0.0444
Toxoplasma gondii exonuclease III APE 0.0021 0.0177 0.053
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.5486 0.8837
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0177 1
Plasmodium falciparum thioredoxin reductase 0.0051 0.1853 0.555
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0026 0.0444 0.0444
Trichomonas vaginalis DNA polymerase II, putative 0.0026 0.0444 0.0444
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0026 0.0444 0.1328
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0197 1 1
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0026 0.0444 0.0444
Leishmania major trypanothione reductase 0.0051 0.1853 0.1853
Schistosoma mansoni hypothetical protein 0.0039 0.1175 0.1175
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0077 0.3339 0.3339
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0026 0.0444 0.1328
Entamoeba histolytica hypothetical protein 0.0039 0.1175 0.1016
Toxoplasma gondii DNA polymerase family B protein 0.0026 0.0444 0.1328
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1175 0.1175
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0177 0.0177
Brugia malayi hypothetical protein 0.0039 0.1175 0.1175
Plasmodium falciparum glutathione reductase 0.0051 0.1853 0.555
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0026 0.0444 0.0444
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.5486 0.8837
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.2091 0.1949
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0177 0.0285
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0197 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.2091 0.1949
Trichomonas vaginalis conserved hypothetical protein 0.0197 1 1
Brugia malayi DNA polymerase family B containing protein 0.0026 0.0444 0.0444
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0026 0.0444 0.0444
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0197 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.1853 0.1853
Entamoeba histolytica hypothetical protein 0.0039 0.1175 0.1016
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0063 0.2548 0.2548
Toxoplasma gondii DNA polymerase 0.0077 0.3339 1
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0026 0.0444 0.0444
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0026 0.0444 0.0444
Entamoeba histolytica hypothetical protein 0.0039 0.1175 0.1016
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0077 0.3339 0.3339
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0026 0.0444 0.0444
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0026 0.0444 0.0444
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0026 0.0444 0.1328

Activities

No activities found for this compound.

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

No literature references available for this target.

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