Detailed information for compound 589389

Basic information

Technical information
  • TDR Targets ID: 589389
  • Name: spenolimycin
  • MW: 346.376 | Formula: C15H26N2O7
  • H donors: 5 H acceptors: 3 LogP: -2.74 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN[C@@H]1[C@H]2O[C@]3(O)[C@H](O[C@@H]2[C@H]([C@@H]([C@@H]1O)NC)O)O[C@@H](C=C3OC)C
  • InChi: 1S/C15H26N2O7/c1-6-5-7(21-4)15(20)14(22-6)23-13-11(19)8(16-2)10(18)9(17-3)12(13)24-15/h5-6,8-14,16-20H,1-4H3/t6-,8-,9+,10+,11+,12-,13-,14+,15+/m1/s1
  • InChiKey: JXUOVTMVWNHOAJ-XLBYJKOOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 95041-97-7
  • 2H-Pyrano(2,3-b)(1,4)benzodioxin-4a,7,9(10aH)-triol, 5a,6,7,8,9,9a-hexahydro-4-methoxy-2-methyl-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10beta))-

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
Loa Loa (eye worm) hypothetical protein 0.0607 0.7684 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.2062 0.2683
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0276 0.0604
Echinococcus granulosus phosphoglycerate kinase 1 0.0169 0.2062 0.451
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0366 0.122
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0366 0.0848
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0607 0.7684 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0366 0.0312
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0366 0.0366
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0276 0.0276
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0516 0.1129
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0131 0.0131
Echinococcus multilocularis phosphoglycerate kinase 1 0.0169 0.2062 0.2062
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0366 0.0312
Loa Loa (eye worm) hypothetical protein 0.031 0.3877 0.5045
Brugia malayi TAR-binding protein 0.0063 0.0702 0.0914
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.2062 0.451
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0366 0.0848
Brugia malayi vesicular acetylcholine transporter unc-17 0.0364 0.4572 0.595
Onchocerca volvulus 0.0048 0.0516 0.0558
Leishmania major phosphoglycerate kinase B, cytosolic 0.0169 0.2062 0.2557
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0691 0.0742
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0607 0.7684 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0262 0.0574
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0691 0.0742
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.2062 0.6948
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0366 0.122
Echinococcus multilocularis tumor protein p63 0.033 0.4131 0.4131
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1415 0.1842
Schistosoma mansoni ap endonuclease 0.0018 0.0131 0.0286
Trichomonas vaginalis set domain proteins, putative 0.0235 0.291 1
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.2062 0.2557
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0366 0.0848
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0691 0.0742
Trypanosoma brucei C-8 sterol isomerase, putative 0.0607 0.7684 1
Leishmania major C-8 sterol isomerase-like protein 0.0607 0.7684 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0702 0.0914
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0169 0.2062 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0366 0.0312
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0691 0.0742
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0131 0.0286
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0366 0.0801
Schistosoma mansoni inositol monophosphatase 0.0037 0.0366 0.0801
Entamoeba histolytica phosphoglycerate kinase, putative 0.0169 0.2062 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0702 0.1536
Brugia malayi Phosphoglycerate kinase 0.0169 0.2062 0.2683
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0169 0.2062 1
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0169 0.2062 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1415 0.1842
Onchocerca volvulus 0.0235 0.291 0.6131
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0276 0.0604
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.2062 0.2557
Echinococcus granulosus tumor protein p63 0.033 0.4131 0.9034
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0276 0.0604
Leishmania major phosphoglycerate kinase C, glycosomal 0.0169 0.2062 0.2557
Giardia lamblia Phosphoglycerate kinase 0.0169 0.2062 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.2062 0.6948
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.2062 0.2557
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0276 0.0276
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0702 0.0702
Brugia malayi Phosphoglycerate kinase 0.0062 0.0691 0.09
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0169 0.2062 1
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.2062 0.2557
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0131 0.017
Loa Loa (eye worm) hypothetical protein 0.0048 0.0516 0.0672
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0276 0.0604
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0366 0.122
Schistosoma mansoni ap endonuclease 0.0018 0.0131 0.0286
Echinococcus multilocularis vesicular acetylcholine transporter 0.0364 0.4572 0.4572
Brugia malayi Pre-SET motif family protein 0.0206 0.2544 0.3311
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2544 0.3311
Chlamydia trachomatis phosphoglycerate kinase 0.0169 0.2062 0.5
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.0691 0.0742
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0276 0.0753
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0276 0.0604
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.0691 0.0742
Mycobacterium ulcerans phosphoglycerate kinase 0.0169 0.2062 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0317 0.0965
Echinococcus granulosus tar DNA binding protein 0.0063 0.0702 0.1536
Brugia malayi Inositol-1 0.0037 0.0366 0.0477
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.2062 0.451
Treponema pallidum phosphoglycerate kinase 0.0169 0.2062 1
Plasmodium vivax SET domain protein, putative 0.003 0.0276 0.0753
Echinococcus granulosus vesicular acetylcholine transporter 0.0364 0.4572 1
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0691 0.0742
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0364 0.4572 0.595
Plasmodium vivax phosphoglycerate kinase, putative 0.0169 0.2062 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0276 0.036
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0702 0.0914
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0702 0.1536
Schistosoma mansoni vesicular acetylcholine transporter 0.0364 0.4572 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0702 0.1536
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0366 0.122
Plasmodium falciparum phosphoglycerate kinase 0.0169 0.2062 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0702 0.0914
Loa Loa (eye worm) inositol-1 0.0037 0.0366 0.0477
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0702 0.1536
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0364 0.4572 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0366 0.0312
Loa Loa (eye worm) RNA binding protein 0.0063 0.0702 0.0914
Schistosoma mansoni inositol monophosphatase 0.0037 0.0366 0.0801
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.0691 0.0742
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0131 0.017
Brugia malayi RNA binding protein 0.0063 0.0702 0.0914
Brugia malayi Pre-SET motif family protein 0.003 0.0276 0.036
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0169 0.2062 1
Brugia malayi MH2 domain containing protein 0.0118 0.1415 0.1842
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0702 0.1536

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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