Detailed information for compound 1417868

Basic information

Technical information
  • TDR Targets ID: 1417868
  • Name: 4-(1,3-dioxoisoindol-2-yl)-N-(6-methylpyridin -2-yl)butanamide
  • MW: 323.346 | Formula: C18H17N3O3
  • H donors: 1 H acceptors: 4 LogP: 1.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(n1)C)CCCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C18H17N3O3/c1-12-6-4-9-15(19-12)20-16(22)10-5-11-21-17(23)13-7-2-3-8-14(13)18(21)24/h2-4,6-9H,5,10-11H2,1H3,(H,19,20,22)
  • InChiKey: IHSLHBNVOXFVPA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,3-dioxoisoindolin-2-yl)-N-(6-methyl-2-pyridyl)butanamide
  • 4-(1,3-dioxo-2-isoindolinyl)-N-(6-methyl-2-pyridyl)butanamide
  • 4-(1,3-diketoisoindolin-2-yl)-N-(6-methyl-2-pyridyl)butyramide
  • 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(6-methyl-pyridin-2-yl)-butyramide
  • AE-848/40773499
  • ZINC00257046
  • MLS000067800
  • SMR000122320
  • BAS 03073085

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 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
Loa Loa (eye worm) RNA binding protein 0.0352 0.2982 0.9181
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0373 0.109
Schistosoma mansoni smad 0.0026 0.0123 0.0078
Toxoplasma gondii peptidylprolyl isomerase 0.0038 0.0232 1
Schistosoma mansoni tar DNA-binding protein 0.0352 0.2982 0.2949
Schistosoma mansoni hypothetical protein 0.1152 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0123 0.0316
Echinococcus granulosus tar DNA binding protein 0.0352 0.2982 0.2949
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0046 0.0077
Loa Loa (eye worm) transcription factor SMAD2 0.0382 0.3246 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0222 0.0621
Echinococcus multilocularis Smad4 0.0026 0.0123 0.0078
Brugia malayi Smad1 0.0026 0.0123 0.0316
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0548 0.0504
Echinococcus multilocularis smad 0.0026 0.0123 0.0078
Brugia malayi hypothetical protein 0.0074 0.0548 0.1634
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0352 0.2982 0.9181
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0046 0.0077
Brugia malayi N-terminal motif family protein 0.0206 0.17 0.5204
Schistosoma mansoni tar DNA-binding protein 0.0352 0.2982 0.2949
Entamoeba histolytica hypothetical protein 0.0074 0.0548 1
Brugia malayi MH1 domain containing protein 0.0026 0.0123 0.0316
Echinococcus multilocularis expressed protein 0.0039 0.024 0.0195
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0123 0.0078
Schistosoma mansoni Smad4 0.0026 0.0123 0.0078
Schistosoma mansoni smad1 5 8 and 0.0026 0.0123 0.0078
Schistosoma mansoni hypothetical protein 0.1152 1 1
Brugia malayi TAR-binding protein 0.0352 0.2982 0.9181
Schistosoma mansoni smad1 5 8 and 0.0026 0.0123 0.0078
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0046 0.0077
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0206 0.17 0.5
Trichomonas vaginalis rotamase, putative 0.0039 0.024 1
Brugia malayi RNA binding protein 0.0352 0.2982 0.9181
Schistosoma mansoni tar DNA-binding protein 0.0352 0.2982 0.2949
Brugia malayi MH1 domain containing protein 0.0026 0.0123 0.0316
Brugia malayi MH2 domain containing protein 0.0026 0.0123 0.0316
Echinococcus granulosus Smad4 0.0026 0.0123 0.0078
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.0232 1
Entamoeba histolytica hypothetical protein 0.0074 0.0548 1
Schistosoma mansoni tar DNA-binding protein 0.0352 0.2982 0.2949
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0039 0.024 0.0678
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0373 0.109
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0039 0.024 0.0678
Echinococcus multilocularis tar DNA binding protein 0.0352 0.2982 0.2949
Loa Loa (eye worm) MH2 domain-containing protein 0.0382 0.3246 1
Entamoeba histolytica hypothetical protein 0.0074 0.0548 1
Schistosoma mansoni hypothetical protein 0.0074 0.0548 0.0504
Echinococcus granulosus smad 0.0026 0.0123 0.0078
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0123 0.0316
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0123 0.0078
Loa Loa (eye worm) TAR-binding protein 0.0352 0.2982 0.9181
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0548 0.0504
Loa Loa (eye worm) hypothetical protein 0.0037 0.0222 0.0621
Brugia malayi MH2 domain containing protein 0.0382 0.3246 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.0232 1
Schistosoma mansoni tar DNA-binding protein 0.0352 0.2982 0.2949
Loa Loa (eye worm) hypothetical protein 0.0054 0.0373 0.109
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0077
Schistosoma mansoni smad1 5 8 and 0.0026 0.0123 0.0078
Brugia malayi MH2 domain containing protein 0.0026 0.0123 0.0316
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0038 0.0232 1
Entamoeba histolytica hypothetical protein 0.0074 0.0548 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0123 0.0078
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0038 0.0232 1
Echinococcus multilocularis geminin 0.1152 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0352 0.2982 0.9181
Loa Loa (eye worm) Smad1 0.0026 0.0123 0.0316
Echinococcus granulosus expressed protein 0.0039 0.024 0.0195
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0123 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.024 1
Schistosoma mansoni hypothetical protein 0.0037 0.0222 0.0176
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0373 0.109
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0123 0.0078
Schistosoma mansoni rotamase 0.0039 0.024 0.0195
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0548 0.0504
Loa Loa (eye worm) hypothetical protein 0.0206 0.17 0.5204
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0012 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0657 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.6964 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
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 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

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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