Detailed information for compound 831820

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.485 | Formula: C21H29N5O5
  • H donors: 0 H acceptors: 5 LogP: 0.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)C(=O)CCc1c(C)nc2c(c1C)c(=O)n(c(=O)n2C)C
  • InChi: 1S/C21H29N5O5/c1-6-31-21(30)26-11-9-25(10-12-26)16(27)8-7-15-13(2)17-18(22-14(15)3)23(4)20(29)24(5)19(17)28/h6-12H2,1-5H3
  • InChiKey: JBQWXERGVQUQBY-UHFFFAOYSA-N  

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
Echinococcus granulosus protein jagged 2 0.0026 0.245 0.2275
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Plasmodium falciparum ABC transporter G family member 2 0.001 0.0226 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Plasmodium vivax ABC transporter G family member 2, putative 0.001 0.0226 0.5
Schistosoma mansoni septate junction protein 0.0026 0.245 0.245
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi Delta serrate ligand family protein 0.0026 0.245 0.2438
Schistosoma mansoni hypothetical protein 0.0026 0.245 0.245
Loa Loa (eye worm) blistered cuticle protein 3 0.0081 1 1
Echinococcus multilocularis protein jagged 2 0.0026 0.245 0.2275
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0026 0.245 0.2438
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi Animal haem peroxidase family protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0226 0.5
Brugia malayi Animal haem peroxidase family protein 0.0081 1 1
Echinococcus multilocularis fibropellin Ia 0.0026 0.245 0.2275
Onchocerca volvulus Dual oxidase homolog 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0026 0.245 0.245
Echinococcus granulosus neurogenic locus notch protein 0.0026 0.245 0.2275
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Entamoeba histolytica ABC transporter, putative 0.001 0.0226 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.001 0.0226 0.0226
Brugia malayi Calcium binding EGF domain containing protein 0.0026 0.245 0.2438
Brugia malayi EGF-like domain containing protein 0.0026 0.245 0.2438
Echinococcus granulosus fibropellin Ia 0.0026 0.245 0.2275
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Echinococcus multilocularis neurogenic locus notch protein 4 0.0026 0.245 0.2275
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Echinococcus granulosus protein jagged 1 0.0026 0.245 0.2275
Echinococcus granulosus neurogenic locus notch protein 0.0026 0.245 0.2275
Loa Loa (eye worm) animal heme peroxidase 0.0081 1 1
Toxoplasma gondii EGF family domain-containing protein 0.0026 0.245 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.001 0.0226 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0026 0.245 0.2438
Echinococcus granulosus neurogenic locus protein delta 0.0026 0.245 0.2275
Schistosoma mansoni hypothetical protein 0.0026 0.245 0.245
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Onchocerca volvulus Peroxidasin homolog 0.0081 1 1
Brugia malayi GCC2 and GCC3 family protein 0.0026 0.245 0.2438
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Loa Loa (eye worm) notch protein 0.0026 0.245 0.2438
Brugia malayi EGF-like domain containing protein 0.0026 0.245 0.2438
Echinococcus granulosus protein jagged 2 0.0026 0.245 0.2275
Schistosoma mansoni hypothetical protein 0.0026 0.245 0.245
Brugia malayi Animal haem peroxidase family protein 0.0081 1 1
Schistosoma mansoni notch 0.0026 0.245 0.245
Echinococcus multilocularis neurogenic locus protein delta 0.0026 0.245 0.2275
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.001 0.0226 0.5
Onchocerca volvulus Peroxidasin homolog 0.0081 1 1
Echinococcus multilocularis protein jagged 1 0.0026 0.245 0.2275
Onchocerca volvulus 0.0081 1 1
Schistosoma mansoni peroxidasin 0.0081 1 1
Echinococcus granulosus peroxidasin 0.0081 1 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0226 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Schistosoma mansoni hypothetical protein 0.0026 0.245 0.245
Echinococcus multilocularis protein jagged 1 0.0026 0.245 0.2275
Brugia malayi EGF-like domain containing protein 0.0026 0.245 0.2438
Echinococcus granulosus neurogenic locus notch protein 4 0.0026 0.245 0.2275
Giardia lamblia High cysteine protein 0.0026 0.245 1
Brugia malayi Animal haem peroxidase family protein 0.0081 1 1
Brugia malayi EGF-like domain containing protein 0.0026 0.245 0.2438
Loa Loa (eye worm) Notch2 0.0026 0.245 0.2438
Schistosoma mansoni ABC transporter 0.0009 0.0016 0.0016
Echinococcus granulosus neural cadherin 0.0026 0.245 0.2275
Loa Loa (eye worm) animal heme peroxidase 0.0081 1 1
Echinococcus multilocularis peroxidasin 0.0081 1 1
Onchocerca volvulus Peroxidase homolog 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Echinococcus granulosus notch 0.0026 0.245 0.2275
Echinococcus multilocularis neurogenic locus protein delta 0.0026 0.245 0.2275
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Echinococcus granulosus slit 2 protein 0.0026 0.245 0.2275
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.001 0.0226 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Brugia malayi Blistered cuticle protein 3 0.0081 1 1
Schistosoma mansoni notch 0.0026 0.245 0.245
Onchocerca volvulus 0.0081 1 1
Onchocerca volvulus 0.0081 1 1
Brugia malayi EGF-like domain containing protein 0.0026 0.245 0.2438
Brugia malayi Animal haem peroxidase family protein 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Schistosoma mansoni notch 0.0026 0.245 0.245
Schistosoma mansoni notch 0.0026 0.245 0.245
Brugia malayi Peroxidasin 0.0081 1 1
Schistosoma mansoni notch 0.0026 0.245 0.245
Schistosoma mansoni hypothetical protein 0.0026 0.245 0.245
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Trypanosoma brucei ATP-binding cassette protein, putative 0.001 0.0226 0.5
Schistosoma mansoni slit 0.0026 0.245 0.245
Brugia malayi Cadherin domain containing protein 0.0026 0.245 0.2438
Schistosoma mansoni notch 0.0026 0.245 0.245
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0026 0.245 0.2275
Brugia malayi Calcium binding EGF domain containing protein 0.0026 0.245 0.2438
Brugia malayi Cadherin domain containing protein 0.0026 0.245 0.2438
Loa Loa (eye worm) animal heme peroxidase 0.0081 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0026 0.245 0.2275
Echinococcus multilocularis neurogenic locus notch protein 0.0026 0.245 0.2275
Schistosoma mansoni hypothetical protein 0.0026 0.245 0.245
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Brugia malayi EGF-like domain containing protein 0.0026 0.245 0.2438
Onchocerca volvulus Chorion peroxidase homolog 0.0081 1 1
Echinococcus multilocularis slit 2 protein 0.0026 0.245 0.2275
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Echinococcus granulosus protein jagged 1 0.0026 0.245 0.2275
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0081 1 1
Onchocerca volvulus Peroxidase homolog 0.0081 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Trypanosoma cruzi ABC transporter, putative 0.001 0.0226 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Echinococcus multilocularis neural cadherin 0.0026 0.245 0.2275
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Brugia malayi notch-like transmembrane receptor 0.0026 0.245 0.2438
Echinococcus multilocularis notch 0.0026 0.245 0.2275
Schistosoma mansoni hypothetical protein 0.0026 0.245 0.245
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Trypanosoma cruzi ATP-binding cassette protein, putative 0.001 0.0226 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Brugia malayi EGF-like domain containing protein 0.0026 0.245 0.2438
Trypanosoma brucei ABC transporter, putative 0.001 0.0226 0.5
Brugia malayi Muscle positioning protein 4 0.0026 0.245 0.2438
Schistosoma mansoni peroxidasin 0.0081 1 1
Echinococcus granulosus delta-like protein 1 0.0026 0.245 0.2275
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.0008 0 0.5
Schistosoma mansoni laminin gamma-3 chain 0.0026 0.245 0.245
Schistosoma mansoni cell polarity protein 0.0026 0.245 0.245
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438
Loa Loa (eye worm) hypothetical protein 0.0026 0.245 0.2438

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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