Detailed information for compound 992808

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.406 | Formula: C22H22O7
  • H donors: 3 H acceptors: 4 LogP: 4.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C(=C(\C=C\c1ccc(c(c1)OC)O)/O)/C(=O)/C=C/c1ccc(c(c1)OC)O
  • InChi: 1S/C22H22O7/c1-27-20-12-14(4-8-16(20)23)6-10-18(25)22(29-3)19(26)11-7-15-5-9-17(24)21(13-15)28-2/h4-13,23-25H,1-3H3/b10-6+,11-7+,22-18+
  • InChiKey: GKRKEGAGNIAVCJ-DMEYQNPBSA-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 ulcerans phosphoglycerate kinase 0.0169 0.5234 0.5605
Brugia malayi Phosphoglycerate kinase 0.0169 0.5234 0.5234
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0051 0.0097
Brugia malayi Heterochromatin protein 1 0.0069 0.1605 0.1605
Loa Loa (eye worm) glutaminase 0.0271 0.8958 0.8958
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1263 0.1263
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0483 0.0195
Schistosoma mansoni hypothetical protein 0.0168 0.5207 0.5745
Echinococcus multilocularis carboxylesterase 5A 0.014 0.4175 0.7919
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0169 0.5234 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0483 0.0924
Echinococcus multilocularis chromobox protein 1 0.0069 0.1605 0.2873
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.05 0.0464
Giardia lamblia Phosphoglycerate kinase 0.0169 0.5234 1
Leishmania major DNA polymerase eta, putative 0.0037 0.0442 0.0845
Brugia malayi Phosphoglycerate kinase 0.0062 0.1345 0.1345
Trypanosoma cruzi DNA polymerase eta, putative 0.0064 0.1403 0.2681
Loa Loa (eye worm) acetylcholinesterase 1 0.014 0.4175 0.4175
Chlamydia trachomatis phosphoglycerate kinase 0.0169 0.5234 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0364 0.0251
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0169 0.5234 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0051 0.0097
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.0442 0.0845
Loa Loa (eye worm) hypothetical protein 0.0049 0.089 0.089
Echinococcus granulosus carboxylesterase 5A 0.014 0.4175 0.7919
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.0483 0.0445
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Echinococcus multilocularis acetylcholinesterase 0.014 0.4175 0.7919
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0051 0.0097
Echinococcus multilocularis geminin 0.0168 0.5207 0.9947
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.089 0.089
Brugia malayi glutaminase DH11.1 0.0271 0.8958 0.8958
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0389 0.0484
Brugia malayi Bromodomain containing protein 0.0029 0.0143 0.0143
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.1345 0.257
Loa Loa (eye worm) carboxylesterase 0.014 0.4175 0.4175
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0364 0.0435
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0389 0.0279
Treponema pallidum phosphoglycerate kinase 0.0169 0.5234 0.5
Echinococcus multilocularis acetylcholinesterase 0.014 0.4175 0.7919
Trypanosoma brucei unspecified product 0.0038 0.0483 0.0924
Schistosoma mansoni hypothetical protein 0.0168 0.5207 0.5745
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.1345 0.257
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0483 0.0387
Loa Loa (eye worm) hypothetical protein 0.005 0.0894 0.0894
Echinococcus granulosus chromobox protein 1 0.0069 0.1605 0.2873
Loa Loa (eye worm) hypothetical protein 0.0034 0.032 0.032
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.1345 0.257
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.05 0.0464
Leishmania major phosphoglycerate kinase C, glycosomal 0.0169 0.5234 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Loa Loa (eye worm) hypothetical protein 0.0039 0.05 0.05
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0169 0.5234 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0555 0.081
Loa Loa (eye worm) hypothetical protein 0.014 0.4175 0.4175
Trichomonas vaginalis chromobox protein, putative 0.0069 0.1605 0.171
Trypanosoma brucei unspecified product 0.0026 0.0051 0.0097
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0483 0.0483
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.05 0.0363
Onchocerca volvulus 0.0239 0.7778 0.7746
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0364 0.0435
Plasmodium falciparum phosphoglycerate kinase 0.0169 0.5234 1
Brugia malayi jmjC domain containing protein 0.0035 0.0364 0.0364
Trichomonas vaginalis chromobox protein, putative 0.0069 0.1605 0.171
Brugia malayi MH2 domain containing protein 0.0118 0.34 0.34
Brugia malayi Carboxylesterase family protein 0.014 0.4175 0.4175
Echinococcus granulosus chromobox protein 1 0.0069 0.1605 0.2873
Plasmodium falciparum phd finger protein, putative 0.0029 0.0143 0.0272
Echinococcus granulosus acetylcholinesterase 0.014 0.4175 0.7919
Mycobacterium ulcerans glutaminase 0.0271 0.8958 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0143 0.0272
Echinococcus granulosus dna polymerase eta 0.0064 0.1403 0.2476
Echinococcus multilocularis dna polymerase eta 0.0064 0.1403 0.2476
Schistosoma mansoni glutaminase 0.0271 0.8958 1
Onchocerca volvulus 0.003 0.0195 0.0054
Schistosoma mansoni hypothetical protein 0.0034 0.032 0.0202
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0169 0.5234 0.5
Schistosoma mansoni DNA polymerase eta 0.0064 0.1403 0.143
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.5234 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.1403 0.1403
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0483 0.067
Entamoeba histolytica phosphoglycerate kinase, putative 0.0169 0.5234 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.089 0.089
Loa Loa (eye worm) hypothetical protein 0.03 1 1
Schistosoma mansoni jumonji domain containing protein 0.0075 0.1829 0.1913
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0169 0.5234 0.5
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.1345 0.257
Schistosoma mansoni hypothetical protein 0.0036 0.0389 0.0279
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0389 0.0484
Brugia malayi chromobox protein homolog 3 0.0039 0.05 0.05
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0483 0.0387
Plasmodium vivax phosphoglycerate kinase, putative 0.0169 0.5234 1
Brugia malayi PHD-finger family protein 0.0029 0.0143 0.0143
Echinococcus granulosus jumonji domain containing protein 0.004 0.0555 0.081
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.34 0.34
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0364 0.0251
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.5234 0.5775
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0483 0.067
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0364 0.0364
Brugia malayi Carboxylesterase family protein 0.014 0.4175 0.4175
Echinococcus multilocularis phosphoglycerate kinase 1 0.0169 0.5234 1
Echinococcus granulosus phosphoglycerate kinase 1 0.0169 0.5234 1
Brugia malayi Pax transcription factor protein 2 0.0239 0.7778 0.7778
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.5234 0.5801
Echinococcus granulosus geminin 0.0168 0.5207 0.9947
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.1345 0.257
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.1345 0.257
Echinococcus multilocularis chromobox protein 1 0.0069 0.1605 0.2873
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0143 0.0272
Giardia lamblia DINP protein human, muc B family 0.0038 0.0483 0.067
Brugia malayi hypothetical protein 0.0036 0.0389 0.0389
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.2537 0.4703
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.5234 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0483 0.0483
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0483 0.0924
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0607 0.0471
Onchocerca volvulus 0.03 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.0442 0.0845
Echinococcus granulosus dna polymerase kappa 0.0038 0.0483 0.067
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.089 0.089
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.34 0.34
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0483 0.0924
Loa Loa (eye worm) glutaminase 2 0.0271 0.8958 0.8958
Loa Loa (eye worm) hypothetical protein 0.003 0.0195 0.0195
Brugia malayi jmjC domain containing protein 0.0095 0.2537 0.2537
Leishmania major phosphoglycerate kinase B, cytosolic 0.0169 0.5234 1
Leishmania major DNA polymerase eta, putative 0.0064 0.1403 0.2681
Trypanosoma brucei unspecified product 0.0026 0.0051 0.0097
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0483 0.0924
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.5234 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0143 0.0143
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0607 0.0585
Trichomonas vaginalis glutaminase, putative 0.0271 0.8958 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.1345 0.257
Loa Loa (eye worm) hypothetical protein 0.014 0.4175 0.4175
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.5234 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.014 0.4175 0.4574
Loa Loa (eye worm) hypothetical protein 0.0169 0.5234 0.5234
Leishmania major DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Schistosoma mansoni chromobox protein 0.0069 0.1605 0.1659
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0607 0.0585
Echinococcus granulosus acetylcholinesterase 0.014 0.4175 0.7919
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.1605 0.1605
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0143 0.0272
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.0483 0.0445
Loa Loa (eye worm) pax transcription factor protein 2 0.0239 0.7778 0.7778
Schistosoma mansoni chromobox protein 0.0069 0.1605 0.1659
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.5234 0.5775
Loa Loa (eye worm) hypothetical protein 0.0029 0.0143 0.0143
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.5234 0.5801
Trypanosoma brucei DNA polymerase eta, putative 0.0064 0.1403 0.2681
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.2537 0.4703
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.032 0.032
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.1403 0.1403
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0483 0.0924
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.1345 0.257
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0483 0.067

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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