Detailed information for compound 1131271

Basic information

Technical information
  • TDR Targets ID: 1131271
  • Name: 5-(3-aminophenoxy)-2-(2-hydroxyethyl)isoindol e-1,3-dione
  • MW: 298.293 | Formula: C16H14N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1C(=O)c2c(C1=O)cc(cc2)Oc1cccc(c1)N
  • InChi: 1S/C16H14N2O4/c17-10-2-1-3-11(8-10)22-12-4-5-13-14(9-12)16(21)18(6-7-19)15(13)20/h1-5,8-9,19H,6-7,17H2
  • InChiKey: CDBLKKMOOIFLOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(3-aminophenoxy)-2-(2-hydroxyethyl)isoindoline-1,3-dione
  • 5-(3-aminophenoxy)-2-(2-hydroxyethyl)isoindoline-1,3-quinone
  • BAS 04380551
  • AN-979/15447127
  • EU-0080305
  • ZINC00089164
  • Oprea1_050241
  • 5-(3-Amino-phenoxy)-2-(2-hydroxy-ethyl)-isoindole-1,3-dione
  • STK008930

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
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0022 0.0136
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.5406 1 1
Onchocerca volvulus 0.0037 0 0.5
Brugia malayi MH2 domain containing protein 0.0122 0.0159 0.1014
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.018 0.0268 0.1705
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.0367 0.0367
Onchocerca volvulus 0.0037 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0018 0.0117
Schistosoma mansoni hypothetical protein 0.0048 0.0022 0.0136
Schistosoma mansoni hypothetical protein 0.0105 0.0127 0.0779
Echinococcus granulosus raf serine:threonine protein kinase 0.0911 0.1628 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0127 0.0783
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0018 0.0114
Loa Loa (eye worm) hypothetical protein 0.0048 0.0022 0.0136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0018 0.0113
Schistosoma mansoni hypothetical protein 0.0048 0.0022 0.0136
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0022 0.0136
Mycobacterium ulcerans transcriptional regulator 0.5406 1 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0911 0.1628 1
Trichomonas vaginalis conserved hypothetical protein 0.0175 0.0258 1
Schistosoma mansoni serine/threonine protein kinase 0.0911 0.1628 1
Mycobacterium ulcerans TetR family transcriptional regulator 0.5406 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0159 0.0982
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0018 0.0113
Plasmodium vivax hypothetical protein, conserved 0.0037 0 0.5
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0516 0.0894 0.5517
Mycobacterium ulcerans short chain dehydrogenase 0.0273 0.044 0.044
Echinococcus granulosus GPCR family 2 0.0048 0.0022 0.0136
Trypanosoma brucei hypothetical protein, conserved 0.0037 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0022 0.0136
Mycobacterium ulcerans AcrR family transcriptional regulator 0.5406 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0018 0.0113
Schistosoma mansoni hypothetical protein 0.0048 0.0022 0.0136
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.0217 0.1383
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0022 0.0141
Echinococcus multilocularis GPCR, family 2 0.0048 0.0022 0.0136
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0022 0.0136
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0022 0.0141
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0018 0.0113
Loa Loa (eye worm) raf kinase 0.0906 0.162 1
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.0127 0.0808
Loa Loa (eye worm) hypothetical protein 0.018 0.0268 0.1652
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0159 0.0982
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0018 0.0113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0018 0.0113
Schistosoma mansoni hypothetical protein 0.0048 0.0022 0.0136
Mycobacterium tuberculosis Probable oxidoreductase 0.0273 0.044 0.044
Brugia malayi Raf kinase 0.0879 0.1569 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.0217 0.134
Toxoplasma gondii ABC1 family protein 0.0037 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.0217 0.1383
Loa Loa (eye worm) hypothetical protein 0.0153 0.0217 0.134
Onchocerca volvulus 0.0037 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0022 0.0136
Leishmania major hypothetical protein, conserved 0.0037 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0018 0.0113

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 100 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

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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