Detailed information for compound 1808033

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.414 | Formula: C20H23N3O5
  • H donors: 1 H acceptors: 4 LogP: 3.7 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C20H23N3O5/c1-5-28-17-9-7-6-8-16(17)19(25)22(20(2,3)4)21-18(24)14-10-12-15(13-11-14)23(26)27/h6-13H,5H2,1-4H3,(H,21,24)
  • InChiKey: RJWJXEJKFOKTEA-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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.105 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0409 0.025
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0082 0.4604 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0738 0.7399
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0997 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 1 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.074 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0114 0.7445 0.7403
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.105 0.1166
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.105 0.0936
Echinococcus granulosus glutamate receptor 2 0.0048 0.1619 0.1536
Echinococcus multilocularis peregrin 0.0032 0.0183 0.002
Echinococcus granulosus chromobox protein 1 0.0069 0.3416 0.3431
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.074 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.105 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.1619 0.1481
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0048 0.1619 0.1536
Loa Loa (eye worm) hypothetical protein 0.0049 0.1694 0.1694
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0082 0.4604 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0409 0.0409
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1323 0.1179
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1323 0.1323
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0082 0.4604 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.105 0.1166
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.5674 0.5602
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1323 0.1224
Loa Loa (eye worm) glutamate receptor 2 0.0032 0.0163 0.0163
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1323 0.1179
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 1 1
Schistosoma mansoni chromobox protein 0.0069 0.3416 0.3307
Echinococcus multilocularis chromobox protein 1 0.0069 0.3416 0.3307
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.3416 0.3416
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0082 0.4604 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1323 0.1179
Brugia malayi chromobox protein homolog 3 0.0039 0.0738 0.0585
Brugia malayi jmjC domain containing protein 0.0094 0.5674 0.5602
Schistosoma mansoni glutamate receptor NMDA 0.0048 0.1619 0.1481
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0409 0.025
Brugia malayi jmjC domain containing protein 0.0035 0.0409 0.025
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0997 0.0969
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0082 0.4604 0.5
Brugia malayi Heterochromatin protein 1 0.0069 0.3416 0.3307
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0871 0.072
Trichomonas vaginalis chromobox protein, putative 0.0069 0.3416 1
Brugia malayi Bromodomain containing protein 0.0032 0.0183 0.002
Schistosoma mansoni chromobox protein 0.0069 0.3416 0.3307
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.1619 0.1481
Trichomonas vaginalis chromobox protein, putative 0.0069 0.3416 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0048 0.1619 0.1481
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0997 0.0969
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.5674 0.5813
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.1619 0.1536
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0409 0.0259
Loa Loa (eye worm) hypothetical protein 0.0039 0.0738 0.0738
Echinococcus granulosus peregrin 0.0032 0.0183 0.0021
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1323 0.1224
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.074 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0114 0.7445 0.768
Echinococcus granulosus chromobox protein 1 0.0069 0.3416 0.3431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1323 0.1179
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0048 0.1619 0.1481
Loa Loa (eye worm) glutamate receptor 1 0.0032 0.0163 0.0163
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.2587 0.2587
Loa Loa (eye worm) acetyltransferase 0.0143 1 1
Chlamydia trachomatis glutamine binding protein 0.0082 0.4604 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0114 0.7445 0.7403
Echinococcus granulosus jumonji domain containing protein 0.004 0.0871 0.0747
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.1619 0.1536
Echinococcus multilocularis glutamate receptor 2 0.0048 0.1619 0.1481
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0409 0.025
Echinococcus multilocularis chromobox protein 1 0.0069 0.3416 0.3307
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.9644 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0048 0.1619 0.1536
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1323 0.1179
Schistosoma mansoni jumonji domain containing protein 0.0075 0.3957 0.3857
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1323 0.1179
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.105 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells at 200 uM after 24 hr by luciferase reporter gene assay ChEMBL. 20069627
Activity (binding) Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells at 200 uM after 24 hr by luciferase reporter gene assay ChEMBL. 20069627

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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