Detailed information for compound 904383

Basic information

Technical information
  • TDR Targets ID: 904383
  • Name: 6-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl )hexanamide
  • MW: 352.384 | Formula: C20H20N2O4
  • H donors: 2 H acceptors: 4 LogP: 2.42 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)O)CCCCCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C20H20N2O4/c23-15-8-6-7-14(13-15)21-18(24)11-2-1-5-12-22-19(25)16-9-3-4-10-17(16)20(22)26/h3-4,6-10,13,23H,1-2,5,11-12H2,(H,21,24)
  • InChiKey: BIQJLDOPZGVJHG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(1,3-dioxoisoindolin-2-yl)-N-(3-hydroxyphenyl)hexanamide
  • 6-(1,3-dioxo-2-isoindolinyl)-N-(3-hydroxyphenyl)hexanamide
  • 6-(1,3-diketoisoindolin-2-yl)-N-(3-hydroxyphenyl)hexanamide
  • ST5182162
  • SMR000505017
  • CBDivE_004270
  • ZINC01782788
  • MLS001209437
  • 6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid (3-hydroxy-phenyl)-amide
  • BAS 00134562
  • AG-690/33362059

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.2496 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0547 0.5
Schistosoma mansoni hypothetical protein 0.2496 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0006 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.2496 1 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.2496 1 0.5
Toxoplasma gondii hypothetical protein 0.0059 0 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1255 0.1242
Mycobacterium ulcerans hypothetical protein 0.0192 0.0547 0.5
Entamoeba histolytica hypothetical protein, conserved 0.2496 1 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.1255 0.0827
Trichomonas vaginalis conserved hypothetical protein 0.2496 1 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1255 0.1242
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.2496 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.1255 0.0827
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.2496 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0006 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.2496 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0006 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0006 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.2496 1 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.2496 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.2496 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0467 0.0453
Giardia lamblia Rrm3p helicase 0.2496 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 18.526 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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