Detailed information for compound 434083

Basic information

Technical information
  • TDR Targets ID: 434083
  • Name: 2-(1-adamantyl)isoindole-1,3-dione
  • MW: 281.349 | Formula: C18H19NO2
  • H donors: 0 H acceptors: 2 LogP: 3.57 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(C(=O)c2c1cccc2)C12CC3CC(C2)CC(C1)C3
  • InChi: 1S/C18H19NO2/c20-16-14-3-1-2-4-15(14)17(21)19(16)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2
  • InChiKey: NNPFLBWYAZEFOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1-adamantyl)isoindoline-1,3-dione
  • 2-(1-adamantyl)isoindoline-1,3-quinone
  • N-(1-adamantyl)phthalimide
  • 16808-41-6
  • AIDS089084
  • STK282264
  • AIDS-089084

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 DNA polymerase kappa, putative 0.0019 0.1727 1
Loa Loa (eye worm) TAR-binding protein 0.0061 1 1
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Echinococcus granulosus tar DNA binding protein 0.0061 1 1
Echinococcus granulosus dna polymerase eta 0.0019 0.1727 0.1727
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.1727 0.1727
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1727 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.9507 1
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.9507 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.1727 0.5
Echinococcus multilocularis dna polymerase eta 0.0019 0.1727 0.1727
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.1727 0.1727
Loa Loa (eye worm) RNA binding protein 0.0061 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.1727 0.1727
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.9507 0.9507
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.8877 0.8877
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.8877 0.919
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.1727 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.9507 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1727 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.8877 0.919
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.9507 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.1727 0.1727
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.8877 0.919
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.8877 0.8877
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 1 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.1727 0.1727
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Trypanosoma brucei unspecified product 0.0019 0.1727 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.9507 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.1727 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.8877 0.8877
Brugia malayi RNA recognition motif domain containing protein 0.0061 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.9507 0.9507
Echinococcus granulosus dna polymerase kappa 0.0019 0.1727 0.1727
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Echinococcus multilocularis tar DNA binding protein 0.0061 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1727 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.9507 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Giardia lamblia DINP protein human, muc B family 0.0019 0.1727 0.5
Onchocerca volvulus 0.001 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.1727 0.1727
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1727 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.1727 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1727 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.9507 0.9507
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.8877 0.8877
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1727 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.1727 0.1727
Loa Loa (eye worm) hypothetical protein 0.0019 0.1727 0.1727
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.1727 1
Brugia malayi TAR-binding protein 0.0061 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1727 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.8877 0.919
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.9507 0.9507
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.8152 0.8152
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1727 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.1727 0.1727
Echinococcus multilocularis dna polymerase kappa 0.0019 0.1727 0.1727

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 21.11 % Apoptotic activity in human blood neutrophils after 24 hrs ChEMBL. 17234303
Activity (functional) = 34.66 % Apoptotic activity in human blood neutrophils after 48 hrs ChEMBL. 17234303
Activity (functional) = 42.01 % Apoptotic activity in human blood neutrophils after 72 hrs ChEMBL. 17234303
IC50 (ADMET) = 20 uM Cytotoxicity against Vero cells ChEMBL. 17234303
LogP = 2.7 Partition coefficient, log P of the compound ChEMBL. 17234303

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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