Detailed information for compound 1186275

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 198.219 | Formula: C9H14N2O3
  • H donors: 2 H acceptors: 3 LogP: -1.69 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(N1C(=O)[C@@H]2[C@H](C1=O)CNC2)C
  • InChi: 1S/C9H14N2O3/c1-5(4-12)11-8(13)6-2-10-3-7(6)9(11)14/h5-7,10,12H,2-4H2,1H3/t5?,6-,7+
  • InChiKey: SWXYFLHRHRLVRX-DGUCWDHESA-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
Loa Loa (eye worm) hypothetical protein 0.006 0.1357 0.1357
Loa Loa (eye worm) hypothetical protein 0.0047 0.0693 0.0693
Trichomonas vaginalis chromobox protein, putative 0.005 0.0873 0.0535
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1161 0.1391
Brugia malayi hypothetical protein 0.0043 0.0505 0.0505
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0113 0.4064 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0693 0.1516
Brugia malayi jmjC domain containing protein 0.0114 0.4126 0.4126
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0113 0.4064 0.4064
Loa Loa (eye worm) hypothetical protein 0.0035 0.009 0.009
Trichomonas vaginalis chromobox protein, putative 0.005 0.0873 0.0535
Loa Loa (eye worm) heterochromatin protein 1 0.0083 0.2555 0.2555
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0463 0.114
Onchocerca volvulus 0.0047 0.0699 0.1533
Trichomonas vaginalis chromobox protein, putative 0.0083 0.2555 0.5526
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.4064 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.009 0.009
Echinococcus multilocularis lysine specific demethylase 5A 0.0042 0.0463 0.0377
Brugia malayi jmjC domain containing protein 0.0042 0.0463 0.0463
Echinococcus granulosus chromobox protein 1 0.0083 0.2555 0.2488
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0463 0.114
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0785 0.0701
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.009 0.5
Onchocerca volvulus 0.0037 0.0179 0.0224
Loa Loa (eye worm) hypothetical protein 0.0048 0.0779 0.0779
Schistosoma mansoni hypothetical protein 0.0035 0.009 0.0222
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.1979 0.1979
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.4064 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0779 0.0779
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.4064 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0113 0.4064 0.401
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0113 0.4064 0.401
Onchocerca volvulus Heterochromatin protein 1 homolog 0.005 0.0873 0.197
Trypanosoma cruzi polo-like protein kinase, putative 0.0113 0.4064 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0114 0.4126 0.4073
Onchocerca volvulus Serine\/threonine kinase homolog 0.0113 0.4064 1
Brugia malayi Bromodomain containing protein 0.0035 0.009 0.009
Plasmodium vivax hypothetical protein, conserved 0.0035 0.009 0.5
Plasmodium falciparum phd finger protein, putative 0.0035 0.009 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0505 0.1243
Brugia malayi PHD-finger family protein 0.0035 0.009 0.009
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0463 0.0463
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1161 0.1391
Echinococcus multilocularis chromobox protein 1 0.0083 0.2555 0.2488
Echinococcus granulosus chromobox protein 1 0.0083 0.2555 0.2488
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.4064 1
Schistosoma mansoni chromobox protein 0.0083 0.2555 0.6288
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0785 0.0701
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.4064 1
Trypanosoma brucei polo-like protein kinase 0.0113 0.4064 0.5
Schistosoma mansoni kinase 0.0057 0.1237 0.3045
Schistosoma mansoni chromobox protein 0.0083 0.2555 0.6288
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0779 0.0779
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0463 0.0377
Schistosoma mansoni survival motor neuron protein 0.0047 0.0699 0.1721
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0505 0.1243
Giardia lamblia Kinase, PLK 0.0113 0.4064 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0179 0.0179
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0779 0.0779
Echinococcus multilocularis chromobox protein 1 0.0083 0.2555 0.2488
Brugia malayi serine/threonine-protein kinase plk-2 0.0113 0.4064 0.4064
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.4064 1
Brugia malayi Heterochromatin protein 1 0.0083 0.2555 0.2555
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.009 0.0222
Entamoeba histolytica serine/threonine protein kinase, putative 0.0113 0.4064 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0113 0.4064 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0505 0.0419
Trichomonas vaginalis chromobox protein, putative 0.0083 0.2555 0.5526
Schistosoma mansoni jumonji domain containing protein 0.0091 0.2932 0.7215
Schistosoma mansoni hypothetical protein 0.0047 0.0699 0.1721
Brugia malayi chromobox protein homolog 3 0.0047 0.0693 0.0693
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.009 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.4064 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0699 0.0699
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0114 0.4126 0.4073
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0505 0.0419
Trichomonas vaginalis CAMK family protein kinase 0.0113 0.4064 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) < 10 % Cytotoxicity against human SW480 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) < 10 % Cytotoxicity against human MCF7 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) < 10 % Cytotoxicity against human A2780 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) < 10 % Cytotoxicity against human H460 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) < 10 % Cytotoxicity against human A431 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) < 10 % Cytotoxicity against human DU145 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915
Inhibition (functional) = 15 % Cytotoxicity against human HT-29 cells at 100 uM after 72 hrs by MTT assay ChEMBL. 20153915

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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