Detailed information for compound 1419859

Basic information

Technical information
  • TDR Targets ID: 1419859
  • Name: 3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo [3,4-b]isoquinolin-2-yl]-N-(2-phenylethyl)pro panamide
  • MW: 377.436 | Formula: C22H23N3O3
  • H donors: 1 H acceptors: 3 LogP: 2.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)NCCc1ccccc1
  • InChi: 1S/C22H23N3O3/c26-20(23-12-10-16-6-2-1-3-7-16)11-13-24-21(27)19-14-17-8-4-5-9-18(17)15-25(19)22(24)28/h1-9,19H,10-15H2,(H,23,26)/t19-/m0/s1
  • InChiKey: HVRQZGLPCQBKLV-IBGZPJMESA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(10aS)-1,3-diketo-10,10a-dihydro-5H-imidazo[3,4-b]isoquinolin-2-yl]-N-(2-phenylethyl)propionamide
  • ZINC05426192

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Brugia malayi RNA binding protein 0.0131 0.3541 0.3541
Loa Loa (eye worm) hypothetical protein 0.0097 0.2284 0.1697
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3541 0.3032
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0707 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0131 0.3541 0.3541
Brugia malayi Latrophilin receptor protein 2 0.0097 0.2284 0.2284
Loa Loa (eye worm) hypothetical protein 0.0209 0.6429 0.6157
Brugia malayi MH2 domain containing protein 0.0257 0.8206 0.8206
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0131 0.3541 0.3049
Echinococcus granulosus tar DNA binding protein 0.0131 0.3541 1
Loa Loa (eye worm) hypothetical protein 0.0306 1 1
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3541 0.3032
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3541 0.3032
Brugia malayi hypothetical protein 0.0054 0.0707 0.0707
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.2284 0.1697
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.2284 0.2284
Brugia malayi Calcitonin receptor-like protein seb-1 0.0306 1 1
Leishmania major hypothetical protein, conserved 0.0054 0.0707 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0257 0.8206 0.807
Brugia malayi latrophilin 2 splice variant baaae 0.0209 0.6429 0.6429
Loa Loa (eye worm) RNA binding protein 0.0131 0.3541 0.3049
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0707 0.5
Echinococcus multilocularis tar DNA binding protein 0.0131 0.3541 1
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0707 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0707 0.5
Schistosoma mansoni hypothetical protein 0.0209 0.6429 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0707 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0257 0.8206 0.807
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0306 1 1
Brugia malayi TAR-binding protein 0.0131 0.3541 0.3541
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0707 0.5
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3541 0.3032
Loa Loa (eye worm) TAR-binding protein 0.0131 0.3541 0.3049
Schistosoma mansoni tar DNA-binding protein 0.0131 0.3541 0.3032
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0707 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0355 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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