Detailed information for compound 1012979

Basic information

Technical information
  • TDR Targets ID: 1012979
  • Name: 6-hydroxypunctaporonin E
  • MW: 268.349 | Formula: C15H24O4
  • H donors: 4 H acceptors: 4 LogP: 0.88 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@]12[C@H](O)C=C[C@@]2(C)C[C@@H]([C@@]2([C@@H]1CC2(C)C)O)O
  • InChi: 1S/C15H24O4/c1-12(2)6-9-14(8-16)10(17)4-5-13(14,3)7-11(18)15(9,12)19/h4-5,9-11,16-19H,6-8H2,1-3H3/t9-,10-,11+,13+,14+,15-/m1/s1
  • InChiKey: BHYNWCIZAMGPRG-FPPVMWEASA-N  


Substructure search Similarity search

Network

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Synonyms

  • InChI=1/C15H24O4/c1-12(2)6-9-14(8-16)10(17)4-5-13(14,3)7-11(18)15(9,12)19/h4-5,9-11,16-19H,6-8H2,1-3H3/t9-,10?,11?,13+,14+,15-/m1/s

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 Glutamate receptor 2 precursor 0.0075 0.3631 0.5456
Leishmania major cathepsin L-like protease 0.0016 0.0117 0.0412
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0048 0.2045 0.7218
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.6655 0.6655
Loa Loa (eye worm) hypothetical protein 0.0037 0.1348 0.2026
Echinococcus multilocularis nmda type glutamate receptor 0.0028 0.0808 0.0808
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0117 0.0175
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0056 0.2476 0.2476
Echinococcus granulosus nmda type glutamate receptor 0.0028 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0036 0.1285 0.1931
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.1348 0.2026
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.1348 0.5466
Echinococcus multilocularis excitatory amino acid transporter 2 0.0126 0.6655 0.6655
Onchocerca volvulus Putative organic anion transporter 0.0054 0.2369 0.3561
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0126 0.6655 0.6655
Echinococcus granulosus excitatory amino acid transporter 2 0.0126 0.6655 0.6655
Echinococcus granulosus glutamate receptor subunit protein glur 0.0028 0.0808 0.0808
Chlamydia trachomatis glutamate symporter 0.0126 0.6655 1
Leishmania major cathepsin L-like protease 0.0016 0.0117 0.0412
Brugia malayi prostaglandin transporter 0.0054 0.2369 0.3561
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0117 0.0117
Leishmania major cathepsin L-like protease 0.0062 0.2833 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.2833 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0056 0.2476 0.2706
Plasmodium vivax vivapain-2 0.0016 0.0117 0.5
Loa Loa (eye worm) glutamate receptor 2 0.0075 0.3631 0.5456
Echinococcus multilocularis follistatin 0.0037 0.1348 0.1348
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.1285 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0117 0.0175
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0075 0.3631 0.3631
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Onchocerca volvulus 0.0016 0.0117 0.0175
Echinococcus multilocularis NMDA receptor 0.012 0.6327 0.6327
Echinococcus multilocularis glutamate receptor 2 0.0075 0.3631 0.3631
Schistosoma mansoni glutamate receptor kainate 0.0167 0.915 1
Loa Loa (eye worm) ctsf protein 0.0016 0.0117 0.0175
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1285 0.1285
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.1348 0.5466
Onchocerca volvulus Putative organic anion transporter 0.0054 0.2369 0.3561
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0117 0.0175
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0056 0.2476 0.2476
Loa Loa (eye worm) fibroinase 0.0016 0.0117 0.0175
Echinococcus granulosus excitatory amino acid transporter 2 0.0126 0.6655 0.6655
Schistosoma mansoni glutamate receptor AMPA 0.0075 0.3631 0.3968
Loa Loa (eye worm) hypothetical protein 0.0054 0.2369 0.3561
Echinococcus granulosus sodium:dicarboxylate symporter 0.0126 0.6655 0.6655
Loa Loa (eye worm) hypothetical protein 0.0037 0.1348 0.2026
Brugia malayi sodium-independent organic anion transporter family protein 0.0054 0.2369 0.3561
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0054 0.2369 0.3561
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 1 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.012 0.6327 0.6327
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0089 0.4481 0.4481
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0117 0.5
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.1348 0.5466
Echinococcus granulosus glutamate receptor 2 0.0061 0.2823 0.2823
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Brugia malayi Cathepsin L-like precursor 0.0016 0.0117 0.0175
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1285 0.4535
Leishmania major cathepsin L-like protease 0.0016 0.0117 0.0412
Onchocerca volvulus 0.0016 0.0117 0.0175
Onchocerca volvulus 0.0054 0.2369 0.3561
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.1285 1
Onchocerca volvulus 0.0054 0.2369 0.3561
Onchocerca volvulus Cathepsin F homolog 0.0016 0.0117 0.0175
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0117 0.0117
Echinococcus multilocularis Excitatory amino acid transporter 0.0126 0.6655 0.6655
Echinococcus granulosus agrin 0.0037 0.1348 0.1348
Brugia malayi hypothetical protein 0.0054 0.2369 0.3561
Echinococcus granulosus Solute carrier organic anion transporter family 0.0054 0.2369 0.2369
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1285 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0117 0.0908
Loa Loa (eye worm) hypothetical protein 0.0054 0.2369 0.3561
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0182 1 1
Leishmania major cathepsin L-like protease 0.0062 0.2833 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0126 0.6655 0.6655
Schistosoma mansoni organic anion transporter 0.0054 0.2369 0.259
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.1285 0.1285
Schistosoma mansoni glutamate receptor AMPA 0.0075 0.3631 0.3968
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0028 0.0808 0.0808
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0182 1 1
Onchocerca volvulus 0.0016 0.0117 0.0175
Loa Loa (eye worm) hypothetical protein 0.0054 0.2369 0.3561
Brugia malayi Glutamate receptor 1 precursor 0.0075 0.3631 0.5456
Echinococcus granulosus glutamate receptor ionotropic kainate 0.012 0.6327 0.6327
Echinococcus multilocularis glutamate receptor 2 0.0089 0.4481 0.4481
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0117 0.0175
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1285 1
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0126 0.6655 1
Leishmania major cathepsin L-like protease 0.0016 0.0117 0.0412
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1285 0.1285
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.2369 0.3561
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0117 0.0908
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0028 0.0808 0.0808
Echinococcus granulosus neutral amino acid transporter 0.0126 0.6655 0.6655
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0126 0.6655 0.5
Echinococcus multilocularis excitatory amino acid transporter 3 0.0126 0.6655 0.6655
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0117 0.0117
Treponema pallidum glutamate transporter 0.0056 0.2476 0.5
Echinococcus granulosus Excitatory amino acid transporter 0.0126 0.6655 0.6655
Echinococcus multilocularis expressed protein 0.0037 0.1348 0.1348
Onchocerca volvulus 0.0054 0.2369 0.3561
Brugia malayi Cathepsin L-like precursor 0.0016 0.0117 0.0175
Plasmodium vivax vivapain-2 0.0016 0.0117 0.5
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1285 0.1285
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0117 0.0117
Brugia malayi Cathepsin L-like precursor 0.0016 0.0117 0.0175
Schistosoma mansoni agrin 0.0037 0.1348 0.1473
Schistosoma mansoni organic anion transporter 0.0054 0.2369 0.259
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.1285 0.4535
Onchocerca volvulus 0.0054 0.2369 0.3561
Loa Loa (eye worm) agrin synaptic family protein 0.0037 0.1348 0.2026
Brugia malayi sodium-independent organic anion transporter family protein 0.0054 0.2369 0.3561
Schistosoma mansoni ATP-binding cassette transporter 0.0075 0.3631 0.3968
Onchocerca volvulus Putative organic anion transporter 0.0054 0.2369 0.3561
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0117 0.0117
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1285 0.1285
Echinococcus multilocularis cysteine protease 0.0016 0.0117 0.0117
Toxoplasma gondii transporter, major facilitator family protein 0.0054 0.2369 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1348 0.2026
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.1285 0.1285
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0054 0.2369 0.2369
Loa Loa (eye worm) excitatory amino acid transporter 0.0126 0.6655 1
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0054 0.2369 0.2369
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Leishmania major cathepsin L-like protease 0.0016 0.0117 0.0412
Echinococcus granulosus cathepsin l1 0.0016 0.0117 0.0117
Brugia malayi Cathepsin L-like precursor 0.0016 0.0117 0.0175
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.1285 0.1404
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.1348 0.5466
Schistosoma mansoni glutamate receptor NMDA 0.0075 0.3631 0.3968
Echinococcus granulosus glutamate NMDA receptor subunit 0.0075 0.3631 0.3631
Toxoplasma gondii protease inhibitor PI2 0.0037 0.1348 0.5466
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0126 0.6655 0.7273
Echinococcus granulosus glutamate receptor 2 0.0089 0.4481 0.4481
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0056 0.2476 0.2706
Loa Loa (eye worm) hypothetical protein 0.0016 0.0117 0.0175
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.012 0.6327 0.6327
Echinococcus granulosus Excitatory amino acid transporter 0.0126 0.6655 0.6655
Loa Loa (eye worm) hypothetical protein 0.0054 0.2369 0.3561
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0054 0.2369 0.2369
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0117 0.0117
Loa Loa (eye worm) cysteine protease 0.0016 0.0117 0.0175
Brugia malayi Excitatory amino acid transporter 0.0126 0.6655 1
Entamoeba histolytica cysteine protease, putative 0.0016 0.0117 0.0908
Echinococcus multilocularis cysteine protease 0.0016 0.0117 0.0117
Echinococcus granulosus follistatin 0.0037 0.1348 0.1348
Loa Loa (eye worm) hypothetical protein 0.0054 0.2369 0.3561
Onchocerca volvulus 0.0054 0.2369 0.3561
Echinococcus multilocularis Excitatory amino acid transporter 0.0126 0.6655 0.6655
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.1285 0.1404
Leishmania major cathepsin L-like protease 0.0062 0.2833 1
Trypanosoma cruzi MFS transporter, putative 0.0054 0.2369 0.8363
Brugia malayi sodium-independent organic anion transporter family protein 0.0054 0.2369 0.3561
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.6655 0.6655
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0117 0.0412
Loa Loa (eye worm) hypothetical protein 0.0037 0.1348 0.2026
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.2833 1
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.2833 1
Leishmania major cysteine peptidase A (CPA) 0.0016 0.0117 0.0412
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1285 0.4535
Onchocerca volvulus 0.0016 0.0117 0.0175
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0117 0.0127
Echinococcus granulosus neutral amino acid transporter A 0.0126 0.6655 0.6655
Schistosoma mansoni hypothetical protein 0.0028 0.0808 0.0883
Brugia malayi SPARC precursor 0.0037 0.1348 0.2026
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0037 0.1348 0.2026
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0126 0.6655 0.6655
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.2833 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.012 0.6327 0.6327
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0117 0.0127
Onchocerca volvulus 0.0016 0.0117 0.0175
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0028 0.0808 0.0808
Schistosoma mansoni glutamate receptor kainate 0.0075 0.3631 0.3968
Echinococcus multilocularis agrin 0.0037 0.1348 0.1348
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.1348 0.2026
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0117 0.0175
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0117 0.5
Treponema pallidum glutamate/aspartate transporter 0.0056 0.2476 0.5
Echinococcus granulosus excitatory amino acid transporter 3 0.0126 0.6655 0.6655
Echinococcus granulosus neutral amino acid transporter A 0.0126 0.6655 0.6655
Brugia malayi Cathepsin L-like precursor 0.0016 0.0117 0.0175
Schistosoma mansoni glutamate receptor NMDA 0.0089 0.4481 0.4897
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0117 0.5
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.1348 0.2026
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0056 0.2514 0.8872
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0089 0.4481 0.4481
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.2833 1
Onchocerca volvulus 0.0016 0.0117 0.0175
Onchocerca volvulus 0.0037 0.1348 0.2026
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.1285 0.1931
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.1348 0.2026
Brugia malayi secreted modular calcium-binding protein 1 0.0037 0.1348 0.2026
Schistosoma mansoni glutamate receptor kainate 0.0167 0.915 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.1285 0.5
Loa Loa (eye worm) glutamate receptor 1 0.0075 0.3631 0.5456
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0126 0.6655 0.5
Onchocerca volvulus 0.0016 0.0117 0.0175
Loa Loa (eye worm) hypothetical protein 0.0054 0.2369 0.3561
Schistosoma mansoni follistatin 0.0037 0.1348 0.1473
Echinococcus multilocularis glutamate receptor 2 0.0061 0.2823 0.2823
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.6655 0.6655
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0117 0.0175
Brugia malayi hypothetical protein 0.0054 0.2369 0.3561

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimicrobial activity against sEscherichia coli ATCC 25922 at 100 ug/disk by agar disk diffusion method ChEMBL. 16643036
Activity (functional) Antimicrobial activity against Candida albicans ATCC 14053 at 100 ug/disk by agar disk diffusion method ChEMBL. 16643036

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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