Detailed information for compound 776626

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.478 | Formula: C23H27N3O4
  • H donors: 2 H acceptors: 3 LogP: 1.87 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)CNC(=O)CC1C(=O)NCCN1Cc1ccccc1C
  • InChi: 1S/C23H27N3O4/c1-16-5-3-4-6-19(16)15-26-12-11-24-22(28)20(26)13-21(27)25-14-17-7-9-18(10-8-17)23(29)30-2/h3-10,20H,11-15H2,1-2H3,(H,24,28)(H,25,27)
  • InChiKey: PQERJWNMBYZEOM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Entamoeba histolytica protein kinase, putative 0.0178 0.6487 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0113 0.3895 0.3895
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0038 0.0917 0.0917
Schistosoma mansoni glutamate receptor NMDA 0.0075 0.2368 0.3651
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.013 0.013
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0038 0.0917 0.1414
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0442 0.0681
Onchocerca volvulus 0.0038 0.0917 0.0945
Loa Loa (eye worm) hypothetical protein 0.0177 0.6451 0.9943
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0192 0.7023 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.013 0.02
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.013 0.02
Entamoeba histolytica protein kinase, putative 0.0178 0.6487 1
Echinococcus multilocularis receptor type guanylyl cyclase 0.0038 0.0917 0.0917
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0113 0.3895 0.3895
Echinococcus multilocularis glutamate receptor 2 0.0075 0.2368 0.2368
Schistosoma mansoni lamin 0.0026 0.0442 0.0681
Brugia malayi Glutamate receptor 1 precursor 0.0075 0.2368 0.3651
Echinococcus multilocularis nmda type glutamate receptor 0.0038 0.0917 0.0917
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.013 0.5
Brugia malayi metabotropic glutamate receptor type 2 0.0038 0.0917 0.1414
Leishmania major cytochrome p450-like protein 0.0021 0.023 0.0158
Trypanosoma brucei cytochrome P450, putative 0.0021 0.023 0.0158
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1188 0.1831
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0038 0.0917 0.0917
Echinococcus multilocularis tar DNA binding protein 0.0067 0.2068 0.2068
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1188 0.1188
Schistosoma mansoni protein kinase 0.0038 0.0917 0.1414
Echinococcus granulosus dual specificity 0.0178 0.6487 0.6487
Toxoplasma gondii exonuclease III APE 0.0019 0.013 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0038 0.0917 0.0917
Loa Loa (eye worm) glutamate receptor 1 0.0075 0.2368 0.3651
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Schistosoma mansoni serine/threonine protein kinase 0.0178 0.6487 1
Schistosoma mansoni hypothetical protein 0.0164 0.5935 0.9148
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.023 0.0158
Loa Loa (eye worm) TAR-binding protein 0.0067 0.2068 0.3188
Echinococcus granulosus metabotropic glutamate receptor 5 0.0038 0.0917 0.0917
Schistosoma mansoni ap endonuclease 0.0019 0.013 0.02
Brugia malayi Receptor family ligand binding region containing protein 0.0038 0.0917 0.1414
Brugia malayi Receptor family ligand binding region containing protein 0.0038 0.0917 0.1414
Brugia malayi intermediate filament protein 0.0026 0.0442 0.0681
Echinococcus granulosus receptor type guanylyl cyclase 0.0038 0.0917 0.0917
Brugia malayi Glutamate receptor 2 precursor 0.0075 0.2368 0.3651
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Loa Loa (eye worm) hypothetical protein 0.0026 0.0442 0.0681
Schistosoma mansoni metabotropic glutamate receptor 0.0038 0.0917 0.1414
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0038 0.0917 0.1414
Leishmania major extracellular receptor, putative 0.0038 0.0917 0.1239
Schistosoma mansoni glutamate receptor kainate 0.0075 0.2368 0.3651
Loa Loa (eye worm) RGC/RGC protein kinase 0.0038 0.0917 0.1414
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1188 0.1188
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0192 0.7023 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0113 0.3895 0.3895
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0192 0.7023 1
Loa Loa (eye worm) glutamate receptor 2 0.0075 0.2368 0.3651
Brugia malayi Cytochrome P450 family protein 0.0021 0.023 0.0354
Loa Loa (eye worm) hypothetical protein 0.0177 0.6451 0.9943
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1188 0.1831
Echinococcus granulosus intermediate filament protein 0.0026 0.0442 0.0442
Schistosoma mansoni metabotropic glutamate receptor 0.0038 0.0917 0.1414
Schistosoma mansoni hypothetical protein 0.0075 0.2368 0.3651
Echinococcus multilocularis nmda type glutamate receptor 0.0267 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Loa Loa (eye worm) glutamate receptor 0.0038 0.0917 0.1414
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0113 0.3895 0.3895
Schistosoma mansoni hypothetical protein 0.0164 0.5935 0.9148
Echinococcus granulosus geminin 0.0164 0.5935 0.5935
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0707 0.109
Echinococcus multilocularis dual specificity 0.0178 0.6487 0.6487
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2068 0.3188
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0075 0.2368 0.2368
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2068 0.3188
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0178 0.6487 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1316 0.2029
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0075 0.2368 0.2368
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1188 0.1831
Echinococcus multilocularis glutamate receptor 2 0.0113 0.3895 0.3895
Schistosoma mansoni ap endonuclease 0.0019 0.013 0.02
Schistosoma mansoni glutamate receptor AMPA 0.0075 0.2368 0.3651
Schistosoma mansoni hypothetical protein 0.0033 0.0707 0.109
Brugia malayi hypothetical protein 0.0038 0.0917 0.1414
Echinococcus granulosus glutamate receptor subunit protein glur 0.0075 0.2368 0.2368
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0038 0.0917 0.0917
Echinococcus granulosus glutamate receptor 2 0.0038 0.0917 0.0917
Trypanosoma cruzi extracellular receptor, putative 0.0038 0.0917 0.1239
Onchocerca volvulus 0.0038 0.0917 0.0945
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0442 0.0681
Schistosoma mansoni glutamate receptor NMDA 0.0113 0.3895 0.6003
Brugia malayi Metabotropic glutamate receptor precursor. 0.0038 0.0917 0.1414
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1316 0.2029
Echinococcus granulosus metabotropic glutamate receptor 2 0.0038 0.0917 0.0917
Brugia malayi hypothetical protein 0.0153 0.547 0.8432
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1188 0.1188
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4081 0.629
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0267 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.013 0.5
Echinococcus multilocularis lamin 0.0026 0.0442 0.0442
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0113 0.3895 0.3895
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.013 0.5
Loa Loa (eye worm) RGC/RGC protein kinase 0.0038 0.0917 0.1414
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.023 0.0354
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Schistosoma mansoni glutamate receptor kainate 0.0075 0.2368 0.3651
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0038 0.0917 0.1414
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0442 0.0681
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0113 0.3895 0.3895
Loa Loa (eye worm) CYP4Cod1 0.0021 0.023 0.0354
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0192 0.7023 1
Echinococcus multilocularis musashi 0.0026 0.0442 0.0442
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0075 0.2368 0.2368
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0178 0.6487 1
Entamoeba histolytica protein kinase domain containing protein 0.0178 0.6487 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4081 0.629
Echinococcus granulosus lamin dm0 0.0026 0.0442 0.0442
Echinococcus multilocularis lamin dm0 0.0026 0.0442 0.0442
Schistosoma mansoni lamin 0.0026 0.0442 0.0681
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1188 0.1831
Echinococcus granulosus tyrosine kinase 0.0038 0.0917 0.0917
Brugia malayi Guanylyl cyclase protein 23 0.0038 0.0917 0.1414
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0075 0.2368 0.2368
Echinococcus multilocularis geminin 0.0164 0.5935 0.5935
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0178 0.6487 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.013 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.1316 0.2029
Schistosoma mansoni ATP-binding cassette transporter 0.0075 0.2368 0.3651
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1316 0.2029
Brugia malayi Protein kinase domain containing protein 0.0178 0.6487 1
Entamoeba histolytica hypothetical protein 0.0038 0.0917 0.1239
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0113 0.3895 0.3895
Echinococcus multilocularis NMDA receptor 0.0075 0.2368 0.2368
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1188 0.1188
Brugia malayi TAR-binding protein 0.0067 0.2068 0.3188
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.023 0.0354
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0178 0.6487 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.2068 0.3188
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.023 0.0145
Schistosoma mansoni intermediate filament proteins 0.0026 0.0442 0.0681
Echinococcus multilocularis tyrosine kinase 0.0038 0.0917 0.0917
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.2068 0.3188
Onchocerca volvulus 0.0153 0.547 1
Brugia malayi Cytochrome P450 family protein 0.0021 0.023 0.0354
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Schistosoma mansoni tyrosine kinase 0.0038 0.0917 0.1414
Brugia malayi RNA binding protein 0.0067 0.2068 0.3188
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0192 0.7023 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0075 0.2368 0.2368
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.023 0.0158
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.013 0.5
Brugia malayi MH2 domain containing protein 0.0118 0.4081 0.629
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.013 0.013
Loa Loa (eye worm) RGC/RGC protein kinase 0.0038 0.0917 0.1414
Echinococcus multilocularis glutamate receptor 2 0.0038 0.0917 0.0917
Loa Loa (eye worm) RNA binding protein 0.0067 0.2068 0.3188
Loa Loa (eye worm) hypothetical protein 0.0033 0.0707 0.109
Chlamydia trachomatis glutamine binding protein 0.0192 0.7023 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0075 0.2368 0.3651
Schistosoma mansoni tyrosine kinase 0.0038 0.0917 0.1414
Loa Loa (eye worm) hypothetical protein 0.0026 0.0423 0.0652
Entamoeba histolytica hypothetical protein 0.0178 0.6487 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.013 0.5
Schistosoma mansoni glutamate receptor kainate 0.0075 0.2368 0.3651
Echinococcus granulosus lamin 0.0026 0.0442 0.0442
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2068 0.3188
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0113 0.3895 0.3895
Echinococcus granulosus glutamate receptor 2 0.0113 0.3895 0.3895
Echinococcus granulosus atrial natriuretic peptide receptor 0.0038 0.0917 0.0917
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2068 0.3188
Loa Loa (eye worm) hypothetical protein 0.0153 0.547 0.8432
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1188 0.1831
Echinococcus granulosus glutamate NMDA receptor subunit 0.0075 0.2368 0.2368
Loa Loa (eye worm) hypothetical protein 0.0038 0.0917 0.1414
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0038 0.0917 0.0945
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0178 0.6487 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.2068 0.2068
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0038 0.0917 0.1414
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2068 0.3188
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0075 0.2368 0.2368
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0075 0.2368 0.2368

Activities

No activities found for this compound.

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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