Detailed information for compound 979474

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 223.225 | Formula: C11H13NO4
  • H donors: 2 H acceptors: 3 LogP: 0.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cc(NC(=O)C)cc(c1)C(=O)OC
  • InChi: 1S/C11H13NO4/c1-7(14)12-10-4-8(6-13)3-9(5-10)11(15)16-2/h3-5,13H,6H2,1-2H3,(H,12,14)
  • InChiKey: CJNMZQLDFIREBS-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 multilocularis regulator of G protein signaling 3 0.0155 0.1402 0.1681
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0454 0.3238
Loa Loa (eye worm) AUR protein kinase 0.0059 0.0372 0.0372
Brugia malayi A-kinase anchor protein 10, precursor 0.0155 0.1402 0.1402
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0454 0.3238
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0031 0.0066 0.0079
Entamoeba histolytica protein kinase, putative 0.0025 0.0003 0.0021
Trichomonas vaginalis AGC family protein kinase 0.0059 0.0372 0.2657
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0116 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.1402 1
Brugia malayi plexin A 0.0419 0.423 0.423
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0029 0.0045 0.1205
Loa Loa (eye worm) hypothetical protein 0.0155 0.1402 0.1402
Echinococcus multilocularis regulator of G protein signaling 0.0155 0.1402 0.1681
Schistosoma mansoni regulator of G protein signaling 0.0155 0.1402 0.1402
Echinococcus granulosus neuroglian 0.0031 0.0066 0.0079
Trichomonas vaginalis AGC family protein kinase 0.0059 0.0372 0.2657
Loa Loa (eye worm) hypothetical protein 0.0155 0.1402 0.1402
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0031 0.0066 0.0079
Echinococcus granulosus aurora kinase A 0.0059 0.0372 0.0447
Schistosoma mansoni z-protein (S1r protein) 0.0155 0.1402 0.1402
Loa Loa (eye worm) hypothetical protein 0.0152 0.1371 0.1371
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0029 0.0045 0.0054
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0031 0.0066 0.0066
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0155 0.1402 0.1402
Entamoeba histolytica protein kinase domain containing protein 0.0091 0.0716 0.5105
Schistosoma mansoni regulator of G protein signaling 0.0155 0.1402 0.1402
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0801 0.8337 0.8337
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0454 0.3238
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0155 0.1402 0.1402
Brugia malayi Plexin repeat family protein 0.0352 0.3514 0.3514
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0059 0.0372 0.0447
Brugia malayi regulator of G-protein signaling egl-10 0.0155 0.1402 0.1402
Leishmania major protein kinase, putative 0.0059 0.0372 1
Echinococcus multilocularis axis inhibition protein axin 0.0155 0.1402 0.1681
Echinococcus multilocularis transcription factor collier 0.0067 0.0454 0.0544
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0801 0.8337 0.8337
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0151 0.0151
Entamoeba histolytica leucine-rich repeat domain-containing protein 0.0025 0.0003 0.0021
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0733 0.7605 0.7605
Entamoeba histolytica hypothetical protein 0.0067 0.0454 0.3238
Echinococcus multilocularis semaphorin 5B 0.0152 0.1371 0.1645
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0801 0.8337 1
Giardia lamblia Aurora kinase 0.0059 0.0372 1
Echinococcus multilocularis axis inhibition protein axin 0.0155 0.1402 0.1681
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0059 0.0372 1
Brugia malayi hypothetical protein 0.0152 0.1371 0.1371
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0033 0.0096 0.0096
Schistosoma mansoni serine/threonine protein kinase 0.0733 0.7605 0.7605
Brugia malayi hypothetical protein 0.0035 0.0116 0.0116
Entamoeba histolytica hypothetical protein 0.0025 0.0003 0.0021
Loa Loa (eye worm) hypothetical protein 0.02 0.1881 0.1881
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0067 0.0454 0.3238
Loa Loa (eye worm) hypothetical protein 0.0067 0.0454 0.0454
Schistosoma mansoni serine/threonine protein kinase 0.0733 0.7605 0.7605
Brugia malayi Sema domain containing protein 0.0152 0.1371 0.1371
Echinococcus granulosus regulator of G protein signaling 3 0.0155 0.1402 0.1681
Brugia malayi IPT/TIG domain containing protein 0.0067 0.0454 0.0454
Entamoeba histolytica protein kinase, putative 0.0059 0.0372 0.2657
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.1402 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0155 0.1402 0.1402
Entamoeba histolytica hypothetical protein 0.0067 0.0454 0.3238
Echinococcus multilocularis plexin a4 0.0419 0.423 0.5074
Schistosoma mansoni hypothetical protein 0.02 0.1881 0.1881
Brugia malayi serine/threonine protein kinase 6 0.0059 0.0372 0.0372
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0029 0.0045 0.1205
Echinococcus granulosus tyrosine protein kinase Lyn 0.0029 0.0045 0.0054
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0372 0.0372
Echinococcus granulosus expressed protein 0.0155 0.1402 0.1681
Echinococcus granulosus regulator of G protein signaling 3 0.0155 0.1402 0.1681
Trypanosoma cruzi aurora B kinase, putative 0.0059 0.0372 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0733 0.7605 0.9122
Loa Loa (eye worm) AUR protein kinase 0.0059 0.0372 0.0372
Echinococcus multilocularis regulator of G protein signaling 7 0.0155 0.1402 0.1681
Echinococcus granulosus semaphorin 5B 0.0152 0.1371 0.1645
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0189 0.0189
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0155 0.1402 0.1681
Loa Loa (eye worm) sema domain-containing protein 0.0152 0.1371 0.1371
Schistosoma mansoni regulator of G protein signaling 0.0155 0.1402 0.1402
Loa Loa (eye worm) hypothetical protein 0.0152 0.1371 0.1371
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0155 0.1402 0.1681
Loa Loa (eye worm) hypothetical protein 0.0031 0.0066 0.0066
Echinococcus multilocularis activin receptor type 0.0029 0.0045 0.0054
Echinococcus granulosus regulator of G protein signaling 7 0.0155 0.1402 0.1681
Brugia malayi serine/threonine kinase 12 0.0059 0.0372 0.0372
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0151 0.0151
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0124 0.0883
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0059 0.0372 0.2657
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0067 0.0454 0.3238
Loa Loa (eye worm) hypothetical protein 0.0152 0.1371 0.1371
Echinococcus multilocularis beta adrenergic receptor kinase 0.0733 0.7605 0.9122
Loa Loa (eye worm) hypothetical protein 0.0035 0.0116 0.0116
Trichomonas vaginalis AGC family protein kinase 0.0059 0.0372 0.2657
Brugia malayi Fibronectin type III domain containing protein 0.0035 0.0116 0.0116
Echinococcus granulosus defective proboscis extension response 0.0031 0.0066 0.0079
Onchocerca volvulus 0.0352 0.3514 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0029 0.0045 0.1205
Schistosoma mansoni axis inhibition protein axin 0.0155 0.1402 0.1402
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0124 0.0883
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0454 0.3238
Brugia malayi hypothetical protein 0.0155 0.1402 0.1402
Plasmodium falciparum protein kinase, putative 0.0029 0.0045 0.1205
Loa Loa (eye worm) hypothetical protein 0.0035 0.0116 0.0116
Brugia malayi Probable exocyst complex component Sec5 0.0067 0.0454 0.0454
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0578 0.5942 0.7127
Entamoeba histolytica cell surface protease gp63, putative 0.0067 0.0454 0.3238
Loa Loa (eye worm) AUR protein kinase 0.0059 0.0372 0.0372
Echinococcus multilocularis regulator of G protein signaling 7 0.0155 0.1402 0.1681
Loa Loa (eye worm) hypothetical protein 0.0067 0.0454 0.0454
Trypanosoma brucei protein kinase, putative 0.0029 0.0045 0.1205
Entamoeba histolytica hypothetical protein 0.0025 0.0003 0.0021
Schistosoma mansoni axis inhibition protein axin 0.0155 0.1402 0.1402
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0067 0.0454 0.3238
Entamoeba histolytica hypothetical protein 0.0155 0.1402 1
Brugia malayi hypothetical protein 0.0152 0.1371 0.1371
Echinococcus granulosus transcription factor collier 0.0067 0.0454 0.0544
Loa Loa (eye worm) hypothetical protein 0.0035 0.0116 0.0116
Brugia malayi regulator of G-protein signaling rgs-7 0.0155 0.1402 0.1402
Schistosoma mansoni cell adhesion molecule 0.0035 0.0116 0.0116
Schistosoma mansoni protein kinase 0.0059 0.0372 0.0372
Echinococcus multilocularis Immunoglobulin 0.0031 0.0066 0.0079
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0059 0.0372 0.0447
Entamoeba histolytica protein kinase domain containing protein 0.0059 0.0372 0.2657
Onchocerca volvulus 0.0152 0.1371 0.3902
Loa Loa (eye worm) hypothetical protein 0.0352 0.3514 0.3514
Echinococcus multilocularis exocyst complex component 2 0.0067 0.0454 0.0544
Loa Loa (eye worm) hypothetical protein 0.0155 0.1402 0.1402
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0454 0.3238
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0155 0.1402 0.1402
Schistosoma mansoni hypothetical protein 0.0152 0.1371 0.1371
Schistosoma mansoni protein kinase 0.0029 0.0045 0.0045
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0055 0.0327 0.0327
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.1402 1
Entamoeba histolytica protein kinase , putative 0.0059 0.0372 0.2657
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0059 0.0372 0.2657
Loa Loa (eye worm) hypothetical protein 0.0031 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0155 0.1402 0.1402
Echinococcus granulosus plexin a4 0.0419 0.423 0.5074
Echinococcus granulosus roundabout 2 0.0035 0.0116 0.0139
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0454 0.3238
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0151 0.0181
Entamoeba histolytica protein kinase domain containing protein 0.0029 0.0045 0.032
Brugia malayi serine/threonine-protein kinase 6 0.0059 0.0372 0.0372
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0956 1 1
Brugia malayi Sema domain containing protein 0.0152 0.1371 0.1371
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0031 0.0066 0.0066
Echinococcus multilocularis regulator of G protein signaling 3 0.0155 0.1402 0.1681
Schistosoma mansoni protein kinase 0.0029 0.0045 0.0045
Entamoeba histolytica hypothetical protein 0.0025 0.0003 0.0021
Schistosoma mansoni serine/threonine protein kinase 0.0956 1 1
Leishmania major protein kinase, putative 0.0029 0.0045 0.1205
Schistosoma mansoni plexin 0.02 0.1881 0.1881
Echinococcus granulosus exocyst complex component 2 0.0067 0.0454 0.0544
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0801 0.8337 0.8337
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0801 0.8337 1
Echinococcus multilocularis aurora kinase A 0.0059 0.0372 0.0447
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0454 0.3238
Echinococcus multilocularis roundabout 2 0.0035 0.0116 0.0139
Loa Loa (eye worm) hypothetical protein 0.0155 0.1402 0.1402
Entamoeba histolytica hypothetical protein 0.0067 0.0454 0.3238
Schistosoma mansoni regulator of G protein signaling 0.0155 0.1402 0.1402
Loa Loa (eye worm) hypothetical protein 0.0152 0.1371 0.1371
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.1402 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0059 0.0372 0.2657
Toxoplasma gondii aurora kinase 0.0059 0.0372 1
Trichomonas vaginalis AGC family protein kinase 0.0059 0.0372 0.2657
Entamoeba histolytica tyrosin kinase, putative 0.0091 0.0716 0.5105
Schistosoma mansoni plexin 0.0352 0.3514 0.3514
Schistosoma mansoni protein kinase 0.0029 0.0045 0.0045
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0029 0.0045 0.1205
Echinococcus multilocularis Immunoglobulin 0.0031 0.0066 0.0079
Loa Loa (eye worm) plexin A 0.0419 0.423 0.423
Loa Loa (eye worm) RGS-3 protein 0.0155 0.1402 0.1402
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0067 0.0454 0.3238
Schistosoma mansoni ephrin receptor 0.0029 0.005 0.005
Entamoeba histolytica protein kinase, putative 0.0059 0.0372 0.2657
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0327 0.0327
Plasmodium falciparum serine/threonine protein kinase, putative 0.0059 0.0372 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0066 0.0066
Echinococcus multilocularis neuroglian 0.0031 0.0066 0.0079
Loa Loa (eye worm) hypothetical protein 0.0152 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0152 0.1371 0.1371
Echinococcus granulosus G protein coupled receptor kinase 1 0.0578 0.5942 0.7127
Echinococcus granulosus axis inhibition protein axin 0.0155 0.1402 0.1681
Loa Loa (eye worm) PXA domain-containing protein 0.0155 0.1402 0.1402
Brugia malayi PXA domain containing protein 0.0155 0.1402 0.1402
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0067 0.0454 0.3238
Brugia malayi Regulator of G protein signaling domain containing protein 0.0155 0.1402 0.1402
Echinococcus granulosus Regulator of G protein signaling 20 0.0155 0.1402 0.1681
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0155 0.1402 1
Schistosoma mansoni hypothetical protein 0.0067 0.0454 0.0454
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.1402 1
Echinococcus granulosus Immunoglobulin 0.0031 0.0066 0.0079
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0151 0.0181
Loa Loa (eye worm) hypothetical protein 0.0067 0.0454 0.0454
Entamoeba histolytica hypothetical protein 0.0067 0.0454 0.3238
Echinococcus granulosus activin receptor type 0.0029 0.0045 0.0054
Echinococcus granulosus twitchin 0.0035 0.0111 0.0133
Schistosoma mansoni nephrin 0.0035 0.0116 0.0116
Schistosoma mansoni regulator of G protein signaling 0.0155 0.1402 0.1402
Loa Loa (eye worm) hypothetical protein 0.0031 0.0066 0.0066
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0029 0.005 0.006
Echinococcus granulosus regulator of G protein signaling 7 0.0155 0.1402 0.1681
Brugia malayi hypothetical protein 0.0155 0.1402 0.1402
Brugia malayi DNA-binding protein LAG-1 0.0067 0.0454 0.0454
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0155 0.1402 0.1402
Schistosoma mansoni semaphorin 5-related 0.0152 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0155 0.1402 0.1402
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0029 0.0045 0.0054
Loa Loa (eye worm) hypothetical protein 0.0067 0.0454 0.0454
Schistosoma mansoni hypothetical protein 0.0067 0.0454 0.0454
Echinococcus multilocularis Regulator of G protein signaling 20 0.0155 0.1402 0.1681
Schistosoma mansoni hypothetical protein 0.0152 0.1371 0.1371
Schistosoma mansoni fibrocystin l 0.0067 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0031 0.0066 0.0066
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0029 0.005 0.006
Brugia malayi PXA domain containing protein 0.0155 0.1402 0.1402
Echinococcus granulosus semaphorin 1A 0.0152 0.1371 0.1645
Echinococcus multilocularis expressed protein 0.0155 0.1402 0.1681
Trichomonas vaginalis conserved hypothetical protein 0.0155 0.1402 1
Echinococcus multilocularis hypothetical protein 0.0152 0.1371 0.1645
Trypanosoma brucei aurora B kinase 0.0059 0.0372 1
Entamoeba histolytica hypothetical protein 0.0155 0.1402 1
Schistosoma mansoni vesicular amine transporter 0.0033 0.0093 0.0093
Echinococcus granulosus axis inhibition protein axin 0.0155 0.1402 0.1681
Entamoeba histolytica hypothetical protein 0.0155 0.1402 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0069 0.0069
Loa Loa (eye worm) sema domain-containing protein 0.0152 0.1371 0.1371

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 102.9 % Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Sf9 cells assessed as residual bound radioligand level at 20 uM by liquid scintillation counting relative to control ChEMBL. 19438240
Activity (binding) = 118.3 % Displacement of [3H]PDBu from human recombinant PKCdelta expressed in Sf9 cells assessed as residual bound radioligand level at 20 uM by liquid scintillation counting relative to control ChEMBL. 19438240

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

1 literature reference was collected for this gene.

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