Detailed information for compound 255236

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 183.204 | Formula: C9H13NO3
  • H donors: 3 H acceptors: 2 LogP: 0.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1cc(O)c(cc1O)OC
  • InChi: 1S/C9H13NO3/c1-13-9-5-7(11)6(2-3-10)4-8(9)12/h4-5,11-12H,2-3,10H2,1H3
  • InChiKey: QJPNZUPVNUCQJP-UHFFFAOYSA-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
Plasmodium vivax pyruvate kinase, putative 0.0077 0.173 1
Entamoeba histolytica pyruvate kinase, putative 0.0054 0.0989 1
Onchocerca volvulus Pyruvate kinase homolog 0.0077 0.173 0.6316
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0077 0.173 1
Giardia lamblia Pyruvate kinase 0.0077 0.173 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0257 0.7415 0.7415
Loa Loa (eye worm) hypothetical protein 0.0077 0.173 0.173
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0609 0.6154
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0609 0.0609
Brugia malayi MH2 domain containing protein 0.0257 0.7415 0.7415
Echinococcus multilocularis pyruvate kinase 0.004 0.0539 0.0285
Trypanosoma cruzi pyruvate kinase 2, putative 0.0077 0.173 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0077 0.173 0.173
Echinococcus multilocularis pyruvate kinase 0.004 0.0539 0.0285
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.0609 0.0357
Entamoeba histolytica hypothetical protein 0.004 0.0552 0.5575
Echinococcus multilocularis pyruvate kinase 0.0061 0.1214 0.0979
Schistosoma mansoni tar DNA-binding protein 0.0339 1 1
Leishmania major pyruvate kinase 0.0077 0.173 1
Brugia malayi RNA recognition motif domain containing protein 0.0339 1 1
Schistosoma mansoni alpha-glucosidase 0.0163 0.4426 0.4276
Toxoplasma gondii pyruvate kinase PyK1 0.0077 0.173 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0077 0.173 1
Echinococcus multilocularis pyruvate kinase 0.004 0.0539 0.0285
Entamoeba histolytica hypothetical protein 0.004 0.0552 0.5575
Loa Loa (eye worm) hypothetical protein 0.0031 0.0261 0.0261
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.0609 0.0357
Echinococcus multilocularis tar DNA binding protein 0.0339 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0609 0.0609
Echinococcus multilocularis pyruvate kinase 0.0077 0.173 0.1508
Loa Loa (eye worm) transcription factor SMAD2 0.0257 0.7415 0.7415
Trypanosoma brucei pyruvate kinase 1 0.0077 0.173 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0261 0.0261
Brugia malayi Glycosyl hydrolases family 31 protein 0.0189 0.5258 0.5258
Entamoeba histolytica hypothetical protein 0.004 0.0552 0.5575
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.2374 0.2374
Loa Loa (eye worm) hypothetical protein 0.0067 0.1396 0.1396
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0261 0.0261
Entamoeba histolytica hypothetical protein 0.004 0.0552 0.5575
Onchocerca volvulus Pyruvate kinase homolog 0.0077 0.173 0.6316
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0609 0.6154
Schistosoma mansoni alpha-glucosidase 0.0163 0.4426 0.4276
Schistosoma mansoni pyruvate kinase 0.0077 0.173 0.1508
Echinococcus multilocularis pyruvate kinase 0.0077 0.173 0.1508
Echinococcus granulosus pyruvate kinase 0.004 0.0539 0.0285
Schistosoma mansoni tar DNA-binding protein 0.0339 1 1
Echinococcus granulosus pyruvate kinase 0.0077 0.173 0.1508
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0189 0.5258 0.5258
Schistosoma mansoni alpha glucosidase 0.0042 0.0609 0.0357
Plasmodium falciparum pyruvate kinase 0.0077 0.173 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0189 0.5258 0.5131
Echinococcus granulosus tar DNA binding protein 0.0339 1 1
Onchocerca volvulus 0.0109 0.2739 1
Schistosoma mansoni tar DNA-binding protein 0.0339 1 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.2374 0.2374
Trypanosoma cruzi pyruvate kinase 2, putative 0.0077 0.173 1
Loa Loa (eye worm) pyruvate kinase-PB 0.0054 0.0989 0.0989
Loa Loa (eye worm) hypothetical protein 0.0054 0.0989 0.0989
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.0609 0.352
Loa Loa (eye worm) pyruvate kinase 0.0077 0.173 0.173
Schistosoma mansoni hypothetical protein 0.0067 0.1396 0.1165
Brugia malayi hypothetical protein 0.004 0.0552 0.0552
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0261 0.0261
Schistosoma mansoni tar DNA-binding protein 0.0339 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.2374 0.2374
Echinococcus multilocularis lysosomal alpha glucosidase 0.0189 0.5258 0.5131
Echinococcus granulosus pyruvate kinase 0.004 0.0539 0.0285
Loa Loa (eye worm) TAR-binding protein 0.0339 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0552 0.0298
Onchocerca volvulus Pyruvate kinase homolog 0.0077 0.173 0.6316
Brugia malayi Pyruvate kinase, muscle isozyme 0.0077 0.173 0.173
Echinococcus granulosus pyruvate kinase 0.004 0.0539 0.0285
Trypanosoma brucei pyruvate kinase 1, putative 0.0077 0.173 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.0609 0.0588
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.2374 0.2374
Mycobacterium ulcerans pyruvate kinase 0.0077 0.173 1
Loa Loa (eye worm) RNA binding protein 0.0339 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0077 0.173 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0189 0.5258 0.5131
Echinococcus granulosus pyruvate kinase 0.0077 0.173 0.1508
Leishmania major pyruvate kinase 0.0077 0.173 1
Schistosoma mansoni pyruvate kinase 0.004 0.0539 0.0285
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0552 0.0298
Schistosoma mansoni pyruvate kinase 0.0077 0.173 0.1508
Loa Loa (eye worm) pyruvate kinase 0.0077 0.173 0.173
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0023 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.004 0.0552 0.0298
Brugia malayi TAR-binding protein 0.0339 1 1
Schistosoma mansoni tar DNA-binding protein 0.0339 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0552 0.0298
Trichomonas vaginalis pyruvate kinase, putative 0.0077 0.173 1
Chlamydia trachomatis pyruvate kinase 0.0077 0.173 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0339 1 1
Loa Loa (eye worm) pyruvate kinase 0.0077 0.173 0.173
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1396 0.1396

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) b 0 % Ability of the compound to inhibit norepinephrine uptake in rat atria was determined at 730microM/kg; b denotes 'Rats expired with in 30 min after injection' ChEMBL. 6423824
Inhibition (functional) b 0 % Ability of the compound to inhibit norepinephrine uptake in rat atria was determined at 486microM/kg; b denotes 'Rats expired with in 30 min after injection' ChEMBL. 6423824
Inhibition (functional) = 26 % Ability of the compound to inhibit norepinephrine uptake in rat atria was determined at 365 umol/kg ChEMBL. 6423824

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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