Detailed information for compound 1466629

Basic information

Technical information
  • TDR Targets ID: 1466629
  • Name: 3-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzalde hyde
  • MW: 309.316 | Formula: C18H15NO4
  • H donors: 0 H acceptors: 3 LogP: 2.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1cccc(c1)OCCCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C18H15NO4/c20-12-13-5-3-6-14(11-13)23-10-4-9-19-17(21)15-7-1-2-8-16(15)18(19)22/h1-3,5-8,11-12H,4,9-10H2
  • InChiKey: LFYQBVBOGZASFX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[3-(1,3-dioxoisoindolin-2-yl)propoxy]benzaldehyde
  • 3-[3-(1,3-dioxo-2-isoindolinyl)propoxy]benzaldehyde
  • 3-[3-(1,3-diketoisoindolin-2-yl)propoxy]benzaldehyde

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
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.014 0.006 0.1926
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0097 0.0006 0.0195
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0343 0.0311 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.014 0.006 0.1923
Onchocerca volvulus 0.0343 0.0311 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.014 0.006 0.1923
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1923
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0343 0.0311 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.014 0.006 0.1923
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0343 0.0311 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.014 0.006 0.1923
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0343 0.0311 1
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0343 0.0311 1
Trypanosoma brucei RNA helicase, putative 0.0142 0.0062 0.1998
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1923
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0097 0.0006 0.0195
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1923
Loa Loa (eye worm) hypothetical protein 0.0343 0.0311 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.8178 1 0.5
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0343 0.0311 1
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.3108 0.3731 1
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0343 0.0311 0.0253
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0343 0.0311 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.014 0.006 0.1926
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.014 0.006 0.1926
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0343 0.0311 1
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0343 0.0311 1
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0343 0.0311 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.014 0.006 0.1926
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0343 0.0311 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0343 0.0311 1
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0343 0.0311 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.014 0.006 0.1926
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.014 0.006 0.1926
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.3108 0.3731 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.014 0.006 0.1926
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.014 0.006 0.1926
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1923
Schistosoma mansoni hypothetical protein 0.0142 0.0062 0.0089
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.8178 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1926
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0343 0.0311 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1926
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1926
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0343 0.0311 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1923
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.8178 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.014 0.006 0.1926
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.014 0.006 0.1926

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antiparasitic activity against Trypanosoma cruzi T2 epimastigotes assessed as growth inhibition at 25 uM after 5 days ChEMBL. 20889239
Inhibition (binding) = 0 % Inhibition of Trypanosoma cruzi triosephosphate isomerase at 400 uM after 2 hrs ChEMBL. 20889239

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.