Detailed information for compound 1710284

Basic information

Technical information
  • TDR Targets ID: 1710284
  • Name: [2-[(3-methylphenyl)amino]-2-oxoethyl] 2-(1,3 -dioxoisoindol-2-yl)acetate
  • MW: 352.341 | Formula: C19H16N2O5
  • H donors: 1 H acceptors: 4 LogP: 2.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C)COC(=O)CN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C19H16N2O5/c1-12-5-4-6-13(9-12)20-16(22)11-26-17(23)10-21-18(24)14-7-2-3-8-15(14)19(21)25/h2-9H,10-11H2,1H3,(H,20,22)
  • InChiKey: UIIXUBXOGJHCMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(3-methylphenyl)amino]-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)acetate
  • 2-(1,3-dioxo-2-isoindolinyl)acetic acid [2-[(3-methylphenyl)amino]-2-oxoethyl] ester
  • 2-(1,3-diketoisoindolin-2-yl)acetic acid [2-keto-2-[(3-methylphenyl)amino]ethyl] ester
  • [2-[(3-methylphenyl)amino]-2-oxo-ethyl] 2-(1,3-dioxoisoindol-2-yl)ethanoate
  • T5402933
  • ZINC03434820

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis lamin dm0 0.002 0.0166 0.0166
Echinococcus multilocularis musashi 0.002 0.0166 0.0166
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.005 0.0745 0.0745
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0855 0.0855
Echinococcus multilocularis lamin 0.002 0.0166 0.0166
Brugia malayi MH2 domain containing protein 0.009 0.1537 0.2426
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0163 0.298 1
Echinococcus multilocularis microtubule associated protein 2 0.0519 1 1
Brugia malayi hypothetical protein 0.0333 0.6335 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0855 0.0855
Schistosoma mansoni dihydrofolate reductase 0.0047 0.0697 0.0697
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0855 0.1349
Echinococcus multilocularis transcription factor Dp 1 0.0029 0.0333 0.0333
Brugia malayi hypothetical protein 0.0092 0.1583 0.2499
Loa Loa (eye worm) hypothetical protein 0.0333 0.6335 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0855 0.1349
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0116 0.2049 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.005 0.0745 0.1176
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.005 0.0745 0.1176
Schistosoma mansoni mucolipin 0.0049 0.0733 0.0733
Echinococcus granulosus intermediate filament protein 0.002 0.0166 0.0166
Brugia malayi thymidylate synthase 0.0116 0.2049 0.3234
Echinococcus granulosus lamin 0.002 0.0166 0.0166
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0055 0.0852 0.0479
Echinococcus multilocularis dihydrofolate reductase 0.0047 0.0697 0.0697
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0163 0.298 1
Echinococcus granulosus lamin dm0 0.002 0.0166 0.0166
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0855 0.0855
Loa Loa (eye worm) hypothetical protein 0.0038 0.0505 0.0798
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0038 0.0505 0.0798
Schistosoma mansoni lamin 0.002 0.0166 0.0166
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.005 0.0745 0.5
Schistosoma mansoni mucolipin 0.0045 0.0652 0.0652
Loa Loa (eye worm) MH2 domain-containing protein 0.009 0.1537 0.2426
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0163 0.298 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.005 0.0745 0.0745
Loa Loa (eye worm) thymidylate synthase 0.0116 0.2049 0.3234
Echinococcus granulosus mucolipin 3 0.0049 0.0733 0.0733
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0163 0.298 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0855 0.0855
Brugia malayi latrophilin 2 splice variant baaae 0.0026 0.0271 0.0429
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.005 0.0745 0.0745
Loa Loa (eye worm) hypothetical protein 0.0333 0.6335 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1583 0.2499
Onchocerca volvulus Huntingtin homolog 0.0092 0.1583 0.2297
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0163 0.298 1
Onchocerca volvulus 0.0116 0.2049 0.3052
Loa Loa (eye worm) mucolipin 1 0.0049 0.0733 0.1157
Echinococcus multilocularis Protein lozenge 0.0042 0.059 0.059
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0163 0.298 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0271 0.0429
Brugia malayi hypothetical protein 0.0055 0.0852 0.1345
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0038 0.0505 0.0798
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0116 0.2049 1
Brugia malayi Dihydrofolate reductase 0.0047 0.0697 0.11
Loa Loa (eye worm) hypothetical protein 0.0092 0.1583 0.2499
Loa Loa (eye worm) dihydrofolate reductase 0.0047 0.0697 0.11
Echinococcus multilocularis thymidylate synthase 0.0116 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.002 0.0166 0.0262
Schistosoma mansoni intermediate filament proteins 0.002 0.0166 0.0166
Mycobacterium ulcerans thymidylate synthase 0.0116 0.2049 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0855 0.0855
Loa Loa (eye worm) intermediate filament protein 0.002 0.0166 0.0262
Loa Loa (eye worm) hypothetical protein 0.002 0.0159 0.0251
Echinococcus multilocularis mucolipin 3 0.0049 0.0733 0.0733
Echinococcus granulosus transcription factor Dp 1 0.0029 0.0333 0.0333
Echinococcus granulosus thymidylate synthase 0.0116 0.2049 0.2049
Brugia malayi Calcitonin receptor-like protein seb-1 0.0038 0.0505 0.0798
Brugia malayi intermediate filament protein 0.002 0.0166 0.0262
Brugia malayi Intermediate filament tail domain containing protein 0.002 0.0166 0.0262
Brugia malayi dihydrofolate reductase family protein 0.0047 0.0697 0.11
Schistosoma mansoni microtubule-associated protein tau 0.0519 1 1
Schistosoma mansoni lozenge 0.0042 0.059 0.059
Echinococcus granulosus dihydrofolate reductase 0.0047 0.0697 0.0697
Onchocerca volvulus 0.0333 0.6335 1
Chlamydia trachomatis dihydrofolate reductase 0.0047 0.0697 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.002 0.0166 0.0262
Mycobacterium tuberculosis Hypothetical protein 0.0055 0.0852 0.1148
Schistosoma mansoni lamin 0.002 0.0166 0.0166
Onchocerca volvulus Huntingtin homolog 0.0092 0.1583 0.2297
Loa Loa (eye worm) runx1 0.0042 0.059 0.0931
Brugia malayi Coelomocyte uptake defective protein 5 0.0049 0.0733 0.1157
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0855 0.0855
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0852 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.009 0.1537 0.2426
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0116 0.2049 0.2049
Schistosoma mansoni hypothetical protein 0.0026 0.0271 0.0271
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0855 0.0855

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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