Detailed information for compound 233123

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.355 | Formula: C19H19N2NaO4
  • H donors: 2 H acceptors: 4 LogP: 3.16 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]C(=O)C(NC(=O)c1ccccc1)CCCNC(=O)c1ccccc1.[Na+]
  • InChi: 1S/C19H20N2O4.Na/c22-17(14-8-3-1-4-9-14)20-13-7-12-16(19(24)25)21-18(23)15-10-5-2-6-11-15;/h1-6,8-11,16H,7,12-13H2,(H,20,22)(H,21,23)(H,24,25);/q;+1/p-1
  • InChiKey: ANISGVYBQVXPLE-UHFFFAOYSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0068 0.0409 0.0501
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.5433 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0068 0.0409 0.0501
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0053 0.0078 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.5782 0.5782
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.2073 1
Brugia malayi TAR-binding protein 0.0069 0.0428 0.0428
Echinococcus multilocularis nmda type glutamate receptor 0.025 0.455 0.6775
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0074 0.0549 0.088
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.2073 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0428 0.0613
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0068 0.0409 0.0501
Plasmodium falciparum eukaryotic initiation factor 4A 0.0074 0.0549 1
Schistosoma mansoni glutamate receptor NMDA 0.0299 0.5666 0.9796
Chlamydia trachomatis glutamine binding protein 0.0076 0.0586 0.5
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0076 0.0586 0.2545
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0074 0.0549 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0428 0.0428
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0068 0.0409 0.0501
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0428 0.053
Echinococcus granulosus tar DNA binding protein 0.0069 0.0428 0.053
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0428 0.0613
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.5433 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.5433 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0074 0.0549 0.0826
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0074 0.0549 0.2361
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.5433 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0074 0.0549 0.088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.5433 1
Brugia malayi methionyl-tRNA synthetase 0.0053 0.0078 0.0078
Echinococcus granulosus snurportin 1 0.0304 0.5782 0.8641
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0428 0.0613
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0074 0.0549 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0074 0.0549 0.0714
Leishmania major eukaryotic initiation factor 4a, putative 0.0074 0.0549 1
Plasmodium vivax RNA helicase-1, putative 0.0074 0.0549 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0068 0.0409 0.0501
Echinococcus multilocularis Protein lozenge 0.0055 0.0113 0.0053
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0428 0.0428
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0428 0.0613
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.2073 1
Schistosoma mansoni hypothetical protein 0.0304 0.5782 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0076 0.0586 0.0075
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0112 0.1422 0.2035
Treponema pallidum fructose-bisphosphate aldolase 0.0288 0.5433 1
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0053 0.0078 0.0078
Echinococcus granulosus eukaryotic initiation factor 4A 0.0074 0.0549 0.0714
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0076 0.0586 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0489 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.5433 1
Echinococcus granulosus nmda type glutamate receptor 0.0343 0.668 1
Echinococcus granulosus glutamate receptor 2 0.0068 0.0409 0.0501
Loa Loa (eye worm) transcription factor SMAD2 0.0489 1 1
Echinococcus multilocularis glutamate receptor 2 0.0068 0.0409 0.0501
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0074 0.0549 0.0826
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.5433 1
Brugia malayi RNA, U transporter 1 0.0081 0.0707 0.0707
Brugia malayi RNA binding protein 0.0069 0.0428 0.0428
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.5433 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.5433 1
Echinococcus multilocularis snurportin 1 0.0304 0.5782 0.8641
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0074 0.0549 0.0714
Brugia malayi eukaryotic initiation factor 4A 0.0074 0.0549 0.0549
Echinococcus granulosus nmda type glutamate receptor 0.025 0.455 0.6775
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0076 0.0586 0.2545
Loa Loa (eye worm) hypothetical protein 0.0437 0.8819 0.8819
Brugia malayi hypothetical protein 0.0437 0.8819 0.8819
Echinococcus multilocularis nmda type glutamate receptor 0.0343 0.668 1
Loa Loa (eye worm) hypothetical protein 0.0437 0.8819 0.8819
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0074 0.0549 0.088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.5433 1
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0074 0.0549 0.0549
Schistosoma mansoni lozenge 0.0055 0.0113 0.0061
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0068 0.0409 0.0501
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0074 0.0549 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0074 0.0549 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 0.5433 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0074 0.0549 0.088
Loa Loa (eye worm) RNA binding protein 0.0069 0.0428 0.0428
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0428 0.0613
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0068 0.0409 0.0501
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0076 0.0586 0.0075
Onchocerca volvulus 0.0437 0.8819 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0074 0.0549 0.0714
Echinococcus granulosus glutamate receptor NMDA 0.0231 0.4122 0.6126
Loa Loa (eye worm) runx1 0.0055 0.0113 0.0113
Leishmania major eukaryotic initiation factor 4a, putative 0.0074 0.0549 1
Echinococcus multilocularis glutamate receptor NMDA 0.0231 0.4122 0.6126
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0068 0.0409 0.0501

Activities

Activity type Activity value Assay description Source Reference
logP (ADMET) = -1.29 Partition coefficient (logP) ChEMBL. 7473552

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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