Detailed information for compound 1438236

Basic information

Technical information
  • TDR Targets ID: 1438236
  • Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxypheny l)methyl]propanamide
  • MW: 338.357 | Formula: C19H18N2O4
  • H donors: 1 H acceptors: 3 LogP: 1.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNC(=O)CCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C19H18N2O4/c1-25-14-8-6-13(7-9-14)12-20-17(22)10-11-21-18(23)15-4-2-3-5-16(15)19(21)24/h2-9H,10-12H2,1H3,(H,20,22)
  • InChiKey: XRFUDRKOTBXILY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(1,3-dioxoisoindolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
  • 3-(1,3-dioxo-2-isoindolinyl)-N-[(4-methoxyphenyl)methyl]propanamide
  • 3-(1,3-diketoisoindolin-2-yl)-N-(4-methoxybenzyl)propionamide
  • ZINC00215942
  • Oprea1_306216
  • EU-0062951

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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 granulosus guanine nucleotide binding protein Gs 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
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
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 %
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2162 0.3984
Loa Loa (eye worm) hypothetical protein 0.034 0.121 0.1267
Trypanosoma cruzi target of rapamycin kinase 3 0.083 0.3762 0.6557
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0229 0.0631 0.0954
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1123 0.5286 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0966 0.447 0.779
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0308 0.1045 0.0961
Leishmania major phosphatidylinositol 3-kinase, putative 0.0523 0.2162 0.4727
Schistosoma mansoni hypothetical protein 0.0335 0.1184 0.1102
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0476 0.192 0.4175
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0308 0.1045 0.1686
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0966 0.447 0.8429
Trichomonas vaginalis PIKK family atypical protein kinase 0.083 0.3759 0.706
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0439 0.1724 0.3142
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0229 0.0631 0.0544
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0439 0.1724 0.3142
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0215 0.0558 0.047
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0966 0.447 0.4418
Schistosoma mansoni hypothetical protein 0.0335 0.1184 0.1102
Leishmania major hypothetical protein, conserved 0.0233 0.0651 0.1276
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.083 0.3762 0.8383
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0125 0.0093 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.083 0.3759 0.706
Loa Loa (eye worm) hypothetical protein 0.0362 0.1327 0.14
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0308 0.1045 0.1821
Trichomonas vaginalis PIKK family atypical protein kinase 0.0795 0.358 0.6715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0795 0.358 0.6715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0694 0.3052 0.5698
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0906 0.4155 0.7196
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.2463 0.4564
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0308 0.1045 0.0961
Entamoeba histolytica protein kinase rad3, putative 0.0308 0.1045 0.1833
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1123 0.5286 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0308 0.1045 0.1833
Loa Loa (eye worm) hypothetical protein 0.0183 0.0393 0.0341
Toxoplasma gondii FATC domain-containing protein 0.0308 0.1045 0.273
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2029 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.2869 0.5347
Echinococcus multilocularis serine protein kinase ATM 0.0308 0.1045 0.0961
Trichomonas vaginalis PIKK family atypical protein kinase 0.0795 0.358 0.6715
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0229 0.0631 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0439 0.1724 0.3005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0795 0.358 0.6715
Loa Loa (eye worm) phosphatidylinositol 3 0.0669 0.2925 0.3213
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.121 0.5738 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0966 0.447 0.8429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.2463 0.4564
Loa Loa (eye worm) hypothetical protein 0.0215 0.0558 0.0528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0795 0.358 0.6715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2162 0.3984
Entamoeba histolytica hypothetical protein 0.0913 0.4193 0.7895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.2872 0.5352
Toxoplasma gondii non-specific serine/threonine protein kinase 0.034 0.121 0.3203
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0229 0.0631 0.11
Mycobacterium leprae conserved hypothetical protein 0.0125 0.0093 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0439 0.1724 0.2891
Trichomonas vaginalis PIKK family atypical protein kinase 0.0752 0.3353 0.6278
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0308 0.1045 0.2175
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0229 0.0631 0.0544
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0669 0.2925 0.647
Trichomonas vaginalis PIKK family atypical protein kinase 0.083 0.3759 0.706
Loa Loa (eye worm) phosphatidylinositol 3 0.1819 0.8907 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0229 0.0631 0.0544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0308 0.1045 0.1833
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0761 0.3401 0.3339
Trichomonas vaginalis PIKK family atypical protein kinase 0.0647 0.2807 0.5227
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.121 0.5738 0.5698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0795 0.358 0.6715
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0229 0.0631 0.1037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0966 0.447 0.8429
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0215 0.0558 0.047
Loa Loa (eye worm) phosphatidylinositol 3 0.0314 0.1073 0.1112
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0308 0.1045 0.1821
Onchocerca volvulus 0.0125 0.0093 0.5
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0229 0.0631 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.121 0.5738 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0229 0.0631 0.0544
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0761 0.3401 0.3339
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0998 0.4635 0.8746
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0229 0.0631 0.0544
Schistosoma mansoni hypothetical protein 0.0215 0.0558 0.047
Loa Loa (eye worm) hypothetical protein 0.0761 0.3401 0.3753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2162 0.3984
Trypanosoma brucei target of rapamycin kinase 3, putative 0.083 0.3762 0.8383
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0229 0.0631 0.11
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0966 0.447 0.8429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0261 0.08 0.1363
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0439 0.1724 0.3142
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0125 0.0093 0.0161
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0591 0.2517 0.5538
Trichomonas vaginalis conserved hypothetical protein 0.0215 0.0558 0.0897
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.2872 0.5352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0966 0.447 0.8429
Trichomonas vaginalis PIKK family atypical protein kinase 0.083 0.3759 0.706
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0398 0.1511 0.324
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.121 0.5738 0.5698
Loa Loa (eye worm) hypothetical protein 0.0147 0.0204 0.0127
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0308 0.1045 0.0961
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0229 0.0631 0.1545
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0229 0.0631 0.0544
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0455 0.1808 0.3302
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0966 0.447 1
Trichomonas vaginalis conserved hypothetical protein 0.034 0.121 0.2151
Leishmania major phosphatidylinositol 3-kinase, putative 0.0229 0.0631 0.1231
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.2463 0.4564
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0308 0.1045 0.1686
Echinococcus multilocularis geminin 0.0335 0.1184 0.1102
Schistosoma mansoni fkbp-rapamycin associated protein 0.0308 0.1045 0.0961
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0801 0.361 0.6773
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.121 0.5738 0.5698
Loa Loa (eye worm) hypothetical protein 0.0136 0.0149 0.0064
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0428 0.1669 0.1591
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0966 0.447 0.4418
Trichomonas vaginalis PIKK family atypical protein kinase 0.083 0.3759 0.706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0669 0.2925 0.5453
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0551 0.2307 0.4265
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0761 0.3401 0.586
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0523 0.2162 0.4727
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0229 0.0631 0.1037
Trichomonas vaginalis conserved hypothetical protein 0.0183 0.0393 0.0579
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2029 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0229 0.0631 0.1545
Echinococcus granulosus serine protein kinase ATM 0.0308 0.1045 0.0961
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0125 0.0093 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0795 0.358 0.6715
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0229 0.0631 0.1037
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0439 0.1724 0.3728
Trichomonas vaginalis PIKK family atypical protein kinase 0.0694 0.3052 0.5698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.2869 0.5347
Mycobacterium tuberculosis Conserved hypothetical protein 0.0125 0.0093 0.5
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0428 0.1669 0.1591
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1123 0.5286 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0669 0.2925 0.647
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0229 0.0631 0.1231
Loa Loa (eye worm) hypothetical protein 0.0147 0.0204 0.0127
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0229 0.0631 0.1037
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0229 0.0631 0.1037
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0125 0.0093 0.0161
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0229 0.0631 0.1231
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1123 0.5286 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0229 0.0631 0.0611
Toxoplasma gondii target of rapamycin (TOR), putative 0.0795 0.358 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0183 0.0393 0.0579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0455 0.1808 0.3302
Giardia lamblia GTOR 0.0966 0.447 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0966 0.447 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0183 0.0393 0.0685
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0913 0.4193 0.7895
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0801 0.361 0.6773
Loa Loa (eye worm) phosphatidylinositol 3 0.0966 0.447 0.4966
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0966 0.447 0.779
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1123 0.5286 0.9213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.2872 0.5352
Echinococcus granulosus geminin 0.0335 0.1184 0.1102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0615 0.2642 0.491
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0439 0.1724 0.3142
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0314 0.1073 0.187
Onchocerca volvulus 0.0125 0.0093 0.5
Entamoeba histolytica hypothetical protein 0.0308 0.1045 0.1833
Brugia malayi FAT domain containing protein 0.0215 0.0558 0.0825
Loa Loa (eye worm) hypothetical protein 0.0308 0.1045 0.108
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1123 0.5286 0.92
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1123 0.5286 0.9213
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.121 0.5738 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.2872 0.5352
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0439 0.1724 0.3142
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0335 0.1186 0.2497
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0125 0.0093 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0659 0.2869 0.5347
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0439 0.1724 0.1647
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0966 0.447 0.7754
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0966 0.447 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0966 0.447 0.4418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.2162 0.3984
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0966 0.447 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 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
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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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