Detailed information for compound 1303892

Basic information

Technical information
  • TDR Targets ID: 1303892
  • Name: (3R)-N-(3-morpholin-4-ylpropyl)-5-oxo-3,9b-di hydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carb oxamide
  • MW: 361.459 | Formula: C18H23N3O3S
  • H donors: 1 H acceptors: 2 LogP: 0.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NCCCN1CCOCC1
  • InChi: 1S/C18H23N3O3S/c22-16(19-6-3-7-20-8-10-24-11-9-20)15-12-25-18-14-5-2-1-4-13(14)17(23)21(15)18/h1-2,4-5,15,18H,3,6-12H2,(H,19,22)/t15-,18?/m0/s1
  • InChiKey: MPJHLKDFKXDZBY-BUSXIPJBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3R)-N-(3-morpholinopropyl)-5-oxo-3,9b-dihydro-2H-thiazolo[2,3-a]isoindole-3-carboxamide
  • (3R)-5-keto-N-(3-morpholinopropyl)-3,9b-dihydro-2H-thiazolo[2,3-a]isoindole-3-carboxamide
  • MLS000083892
  • SMR000046596

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
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0176 1 0.5
Schistosoma mansoni hypothetical protein 0.0067 0.2872 0.1745
Trichomonas vaginalis N-myristoyl transferase, putative 0.0176 1 1
Brugia malayi MH2 domain containing protein 0.0115 0.6019 0.6019
Echinococcus multilocularis jun protein 0.0083 0.3886 0.2919
Brugia malayi hypothetical protein 0.0065 0.2724 0.2724
Trypanosoma cruzi N-myristoyl transferase, putative 0.0176 1 0.5
Loa Loa (eye worm) hypothetical protein 0.008 0.3738 0.3738
Trypanosoma cruzi N-myristoyl transferase, putative 0.0176 1 0.5
Trypanosoma brucei N-myristoyltransferase 0.0176 1 0.5
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0176 1 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.3886 0.2919
Onchocerca volvulus 0.0065 0.2724 0.5
Echinococcus granulosus jun protein 0.0083 0.3886 0.2919
Schistosoma mansoni jun-related protein 0.0067 0.2872 0.1745
Loa Loa (eye worm) N-myristoyltransferase 2 0.0176 1 1
Trypanosoma brucei N-myristoyl transferase, putative 0.0176 1 0.5
Giardia lamblia CDC72 0.0176 1 0.5
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0176 1 1
Brugia malayi bZIP transcription factor family protein 0.0083 0.3886 0.3886
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0176 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.6019 0.6019
Schistosoma mansoni N-myristoyltransferase 0.0176 1 1
Leishmania major N-myristoyl transferase, putative 0.0176 1 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.1365 0.1365
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0176 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.1365 0.1365
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.6019 0.6019
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.3886 0.2919

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

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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