Detailed information for compound 1413389

Basic information

Technical information
  • TDR Targets ID: 1413389
  • Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxyb enzoic acid
  • MW: 311.289 | Formula: C17H13NO5
  • H donors: 1 H acceptors: 4 LogP: 1.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1C(=O)O)CN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C17H13NO5/c1-23-14-7-6-10(8-13(14)17(21)22)9-18-15(19)11-4-2-3-5-12(11)16(18)20/h2-8H,9H2,1H3,(H,21,22)
  • InChiKey: WNUCWHKTZGWVGV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-methoxy-benzoic acid
  • 5-[(1,3-dioxo-2-isoindolinyl)methyl]-2-methoxybenzoic acid
  • 5-[(1,3-diketoisoindolin-2-yl)methyl]-2-methoxy-benzoic acid
  • 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-benzoic acid
  • T0518-2659

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352

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
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.023 0.0409
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.023 0.023
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.023 0.023
Trichomonas vaginalis conserved hypothetical protein 0.005 0.257 0.5
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.005 0.257 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0018 0.0742 0.0742
Onchocerca volvulus 0.0018 0.0742 0.0948
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.023 0.023
Schistosoma mansoni nuclear hormone receptor 0.0009 0.023 0.0409
Loa Loa (eye worm) hypothetical protein 0.0104 0.5629 0.5629
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.023 0.023
Brugia malayi steroid hormone receptor 0.0009 0.023 0.023
Schistosoma mansoni sodium-dependent amino acid transporter 0.0018 0.0742 0.1318
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0018 0.0742 0.0742
Loa Loa (eye worm) hypothetical protein 0.005 0.257 0.257
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.023 0.023
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.257 0.257
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.023 0.023
Echinococcus multilocularis sodium and chloride dependent glycine 0.0018 0.0742 0.0742
Echinococcus granulosus FTZ F1 alpha 0.0009 0.023 0.023
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.023 0.0409
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.005 0.257 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.023 0.0409
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.023 0.0409
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0018 0.0742 0.0742
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.023 0.023
Giardia lamblia Synaptic glycoprotein SC2 0.005 0.257 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0018 0.0742 0.0742
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0018 0.0742 0.0742
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.005 0.257 0.257
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.005 0.257 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0018 0.0742 0.0742
Echinococcus granulosus sodium and chloride dependent glycine 0.0018 0.0742 0.0742
Echinococcus multilocularis muscleblind protein 0.018 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0018 0.0742 0.1318
Plasmodium vivax polyprenol reductase, putative 0.005 0.257 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.023 0.023
Schistosoma mansoni synaptic glycoprotein sc2 related 0.005 0.257 0.4566
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2883 0.2883
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.023 0.0409
Schistosoma mansoni coup transcription factor 0.0009 0.023 0.0409
Schistosoma mansoni sodium/chloride dependent transporter 0.0104 0.5629 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0018 0.0742 0.0742
Echinococcus granulosus synaptic glycoprotein sc2 0.005 0.257 0.257
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.005 0.257 1
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.005 0.257 0.257
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0018 0.0742 0.0742
Onchocerca volvulus 0.005 0.257 0.4334
Brugia malayi ecdysteroid receptor 0.0009 0.023 0.023
Echinococcus granulosus serotonin transporter 0.0104 0.5629 0.5629
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0018 0.0742 0.1318
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.023 0.0409
Loa Loa (eye worm) hypothetical protein 0.0018 0.0742 0.0742
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.023 0.023
Brugia malayi nuclear hormone receptor 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0018 0.0742 0.0742
Entamoeba histolytica hypothetical protein 0.005 0.257 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.023 0.0409
Loa Loa (eye worm) hypothetical protein 0.0018 0.0742 0.0742
Echinococcus multilocularis sodium and chloride dependent glycine 0.0018 0.0742 0.0742
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.023 0.0409
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0009 0.023 0.023
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Trichomonas vaginalis conserved hypothetical protein 0.005 0.257 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0018 0.0742 0.1318
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.005 0.257 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.023 0.0409
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0018 0.0742 0.1318
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.023 0.023
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.023 0.023
Schistosoma mansoni synaptic glycoprotein sc2 related 0.005 0.257 0.4566
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 0.5
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.023 0.023
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0009 0.023 0.023
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.023 0.023
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0018 0.0742 0.0742
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0018 0.0742 0.1318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2883 0.2883
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.023 0.023
Plasmodium falciparum polyprenol reductase, putative 0.005 0.257 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2883 0.2883
Echinococcus granulosus sodium and chloride dependent glycine 0.0018 0.0742 0.0742
Echinococcus granulosus muscleblind protein 0.018 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.023 0.023
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.023 0.023
Loa Loa (eye worm) solute carrier family 6 member 4 0.0104 0.5629 0.5629
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.023 0.023
Schistosoma mansoni thyroid hormone receptor 0.0009 0.023 0.0409
Loa Loa (eye worm) hypothetical protein 0.0018 0.0742 0.0742
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.023 0.023
Brugia malayi hypothetical protein 0.0018 0.0742 0.0742
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.023 0.023
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0018 0.0742 0.0742
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.023 0.023
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0018 0.0742 0.0742
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.023 0.023
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0018 0.0742 0.0742
Schistosoma mansoni thyroid hormone receptor 0.0009 0.023 0.0409
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.005 0.257 0.257
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0009 0.023 0.023
Echinococcus multilocularis synaptic glycoprotein sc2 0.005 0.257 0.257
Echinococcus multilocularis serotonin transporter 0.0104 0.5629 0.5629
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0018 0.0742 0.0742
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.005 0.257 0.5
Loa Loa (eye worm) serotonin transporter b 0.0104 0.5629 0.5629
Onchocerca volvulus 0.0018 0.0742 0.0948
Loa Loa (eye worm) hypothetical protein 0.005 0.257 0.257
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.023 0.023
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.023 0.023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2883 0.5122
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.005 0.257 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0018 0.0742 0.0742
Loa Loa (eye worm) hypothetical protein 0.0104 0.5629 0.5629
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.023 0.023
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0018 0.0742 0.1318
Entamoeba histolytica steroid 5-alpha reductase, putative 0.005 0.257 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0018 0.0742 0.1318
Onchocerca volvulus 0.0104 0.5629 1
Onchocerca volvulus 0.0018 0.0742 0.0948
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.005 0.257 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0009 0.023 0.023
Brugia malayi nuclear receptor NHR-88 0.0009 0.023 0.023
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.023 0.023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.023 0.023
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0018 0.0742 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.023 0.023
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.005 0.257 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.023 0.023
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2883 0.2883
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0018 0.0742 0.0742
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.023 0.023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2883 0.5122
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.023 0.023
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.023 0.023
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0018 0.0742 0.0742
Schistosoma mansoni sodium/chloride dependent transporter 0.0018 0.0742 0.1318
Loa Loa (eye worm) hypothetical protein 0.0009 0.023 0.023
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2883 0.2883
Loa Loa (eye worm) hypothetical protein 0.0104 0.5629 0.5629
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0104 0.5629 1
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.005 0.257 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0104 0.5629 0.5629
Loa Loa (eye worm) norepinephrine transporter 0.0104 0.5629 0.5629
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.005 0.257 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2883 0.5122
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0018 0.0742 0.1318
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.023 0.023
Treponema pallidum sodium- and chloride- dependent transporter 0.0104 0.5629 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.023 0.023
Brugia malayi Synaptic glycoprotein SC2 0.005 0.257 0.257
Mycobacterium ulcerans hypothetical protein 0.005 0.257 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.023 0.023
Schistosoma mansoni sodium/chloride dependent transporter 0.0018 0.0742 0.1318
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.023 0.023

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.1689 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) 12.5893 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 (binding) 12.5893 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.