Detailed information for compound 1182260

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.288 | Formula: C14H16N2O4
  • H donors: 3 H acceptors: 4 LogP: 0.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=O)c1cn(CCO)c2c(c1=O)cccc2
  • InChi: 1S/C14H16N2O4/c17-7-5-15-14(20)11-9-16(6-8-18)12-4-2-1-3-10(12)13(11)19/h1-4,9,17-18H,5-8H2,(H,15,20)
  • InChiKey: KYANOGJFRCCTSQ-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
Brugia malayi Cytochrome P450 family protein 0.0034 0.0472 0.0186
Onchocerca volvulus 0.0097 0.3758 0.9965
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.377 0.377
Brugia malayi hypothetical protein 0.0035 0.0555 0.0272
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.5098 0.4951
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.118 0.159
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.377 0.5083
Echinococcus multilocularis peregrin 0.003 0.0291 0.0392
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.118 0.0916
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.1552 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0617 0.0617
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.377 0.5083
Schistosoma mansoni alpha-glucosidase 0.0144 0.6209 0.6209
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.118 0.118
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0899 0.1212
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.3825 0.5156
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.7417 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.377 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0617 0.0832
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.377 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.118 0.0916
Brugia malayi Ets-domain containing protein 0.0072 0.2447 0.2221
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.7417 1
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0291 0.0392
Schistosoma mansoni gabp alpha 0.0072 0.2447 0.2447
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.1552 0.2861
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0291 0.0392
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.377 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.1552 1
Leishmania major hypothetical protein, conserved 0.0054 0.1552 0.2861
Loa Loa (eye worm) hypothetical protein 0.0051 0.14 0.1143
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.377 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0664 0.0384
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.2447 0.3299
Echinococcus granulosus lysosomal alpha glucosidase 0.0168 0.7417 1
Schistosoma mansoni kinase 0.0049 0.1295 0.1295
Schistosoma mansoni alpha-glucosidase 0.0144 0.6209 0.6209
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.118 0.159
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0168 0.7417 0.734
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.377 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0617 0.0617
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.2447 0.2221
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0291 0.0291
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1229 0.1819
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.377 1
Schistosoma mansoni alpha glucosidase 0.0037 0.0664 0.0664
Loa Loa (eye worm) hypothetical protein 0.0054 0.1552 0.1299
Brugia malayi jmjC domain containing protein 0.0036 0.0617 0.0337
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1229 0.1819
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0472 0.0186
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0899 0.1212
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0617 0.0832
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.3825 0.5156
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.377 0.3583
Loa Loa (eye worm) hypothetical protein 0.0061 0.1909 0.1667
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0664 0.0895
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.1552 0.2861
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.118 0.159
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.2447 0.3299
Schistosoma mansoni jumonji domain containing protein 0.0078 0.2779 0.2779
Brugia malayi jmjC domain containing protein 0.0098 0.3825 0.364
Giardia lamblia Kinase, PLK 0.0097 0.377 1
Trypanosoma brucei polo-like protein kinase 0.0097 0.377 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0168 0.7417 0.734
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.377 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.118 0.118
Brugia malayi hypothetical protein 0.0054 0.1552 0.1299
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1945 0.1703
Brugia malayi MH2 domain containing protein 0.0123 0.5098 0.4951
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.1552 0.2861
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.377 1
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.1552 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0664 0.0895
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.1552 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.377 1
Schistosoma mansoni hypothetical protein 0.003 0.0291 0.0291
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.118 0.159
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.377 1
Echinococcus granulosus peregrin 0.003 0.0291 0.0392
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.377 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0617 0.0337
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.377 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0664 0.0384
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0664 0.2955
Brugia malayi Ets-domain containing protein 0.0072 0.2447 0.2221
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.5098 0.4951
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.377 0.3583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.118 0.118

Activities

Activity type Activity value Assay description Source Reference
TC50 (ADMET) > 100 uM Cytotoxicity against human CEM cells ChEMBL. 19217787

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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