Detailed information for compound 1389778

Basic information

Technical information
  • TDR Targets ID: 1389778
  • Name: (1,3-dioxoisoindol-2-yl)methyl 3-acetamidoben zoate
  • MW: 338.314 | Formula: C18H14N2O5
  • H donors: 1 H acceptors: 4 LogP: 1.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)C(=O)OCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C18H14N2O5/c1-11(21)19-13-6-4-5-12(9-13)18(24)25-10-20-16(22)14-7-2-3-8-15(14)17(20)23/h2-9H,10H2,1H3,(H,19,21)
  • InChiKey: BJLHFYXUGIOOJT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (1,3-dioxoisoindolin-2-yl)methyl 3-acetamidobenzoate
  • 3-acetamidobenzoic acid (1,3-dioxo-2-isoindolinyl)methyl ester
  • 3-acetamidobenzoic acid (1,3-diketoisoindolin-2-yl)methyl ester
  • ZINC05989847

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768

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
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.003 0.1613 0.0965
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0718 0.5
Schistosoma mansoni amyloid beta A4 protein related 0.0067 0.6504 0.6233
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0718 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.6161 0.6161
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0718 0.5
Onchocerca volvulus 0.003 0.1613 0.5
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0094 1 1
Echinococcus granulosus tissue type plasminogen activator 0.003 0.1613 0.1345
Brugia malayi Protein kinase domain containing protein 0.003 0.1613 0.0965
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0718 0.5
Echinococcus multilocularis sodium channel protein 0.004 0.2942 0.2397
Echinococcus granulosus voltage dependent calcium channel 0.0094 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.031
Plasmodium vivax cysteine repeat modular protein 1, putative 0.003 0.1613 1
Echinococcus granulosus amyloid beta A4 protein 0.0067 0.6504 0.6392
Loa Loa (eye worm) voltage-dependent calcium channel 0.002 0.031 0.031
Echinococcus multilocularis voltage dependent calcium channel 0.0094 1 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.004 0.2942 0.2717
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0094 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0718 0.5
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0094 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0094 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0718 0.4448
Loa Loa (eye worm) TK/ROR protein kinase 0.003 0.1613 0.1613
Echinococcus multilocularis amyloid beta A4 protein 0.0067 0.6504 0.6233
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0094 1 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0094 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0094 1 1
Schistosoma mansoni voltage-gated cation channel 0.0094 1 1
Plasmodium falciparum cysteine repeat modular protein 1 0.003 0.1613 1
Loa Loa (eye worm) calcium channel 0.0094 1 1
Leishmania major hypothetical protein, conserved 0.003 0.1613 1
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.006 0.5579 0.5237
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0718 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1613 0.1613
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0718 0.5
Brugia malayi hypothetical protein 0.0064 0.6161 0.5864
Schistosoma mansoni hypothetical protein 0.003 0.1613 0.0965
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0094 1 1
Toxoplasma gondii kringle domain-containing protein 0.003 0.1613 1
Toxoplasma gondii transporter, cation channel family protein 0.002 0.031 0.1919
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0057 0.5199 1
Brugia malayi Kringle domain containing protein 0.003 0.1613 0.0965
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0718 0.0421
Echinococcus multilocularis voltage dependent calcium channel 0.0094 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0718 0.5
Loa Loa (eye worm) X11 protein 0.0067 0.6504 0.6504
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.1613 0.1999
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0057 0.5199 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0718 0.0718
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0094 1 1

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) 2.1192 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 56.2341 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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