Detailed information for compound 1631972

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.357 | Formula: C19H19NO6
  • H donors: 0 H acceptors: 0 LogP: 2.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2CN(C)Cc3c(c2c2c1OCO2)c1OCOc1c(c3)OC
  • InChi: 1S/C19H19NO6/c1-20-6-10-4-12(21-2)16-18(25-8-23-16)14(10)15-11(7-20)5-13(22-3)17-19(15)26-9-24-17/h4-5H,6-9H2,1-3H3
  • InChiKey: YHWDNZDJOQNVMP-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
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.011 0.0449 0.0449
Brugia malayi Receptor family ligand binding region containing protein 0.0301 0.1633 0.124
Brugia malayi Receptor family ligand binding region containing protein 0.0138 0.0623 0.0182
Loa Loa (eye worm) glutamate receptor 0.0462 0.2633 0.2287
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.011 0.0449 0.0449
Schistosoma mansoni tyrosine kinase 0.0138 0.0623 0.0623
Brugia malayi p70 ribosomal S6 kinase beta 0.1164 0.6997 0.6855
Echinococcus granulosus protein kinase c epsilon type 0.04 0.2248 0.2248
Schistosoma mansoni atypical protein kinase C 0.04 0.2248 0.2248
Trypanosoma cruzi Protein kinase B 0.0807 0.4778 1
Echinococcus granulosus integrin linked protein kinase 0.1647 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.1445 0.8744 0.8744
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0774 0.4575 0.9574
Loa Loa (eye worm) RGC/RGC protein kinase 0.0138 0.0623 0.0182
Schistosoma mansoni tyrosine kinase 0.0138 0.0623 0.0623
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0043 0.003 0.0063
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.019 0.0947 1
Entamoeba histolytica protein kinase, putative 0.0043 0.003 0.0042
Trichomonas vaginalis AGC family protein kinase 0.1196 0.72 1
Trichomonas vaginalis AGC family protein kinase 0.04 0.2248 0.3094
Brugia malayi Guanylyl cyclase protein 23 0.0138 0.0623 0.0182
Echinococcus multilocularis integrin linked protein kinase 0.1647 1 1
Echinococcus granulosus atrial natriuretic peptide receptor 0.011 0.0449 0.0449
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0764 0.4511 0.4511
Loa Loa (eye worm) RGC/RGC protein kinase 0.0138 0.0623 0.0182
Entamoeba histolytica PH domain containing protein kinase, putative 0.0807 0.4778 0.6636
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.1063 0.6372 0.6202
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.04 0.2248 0.1884
Toxoplasma gondii protein kinase domain-containing protein 0.0043 0.003 0.0043
Echinococcus granulosus metabotropic glutamate receptor 5 0.1445 0.8744 0.8744
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.011 0.0449 0.0449
Echinococcus granulosus serine threonine protein kinase nrc 0.0774 0.4575 0.4575
Schistosoma mansoni serine/threonine protein kinase 0.04 0.2248 0.2248
Toxoplasma gondii AGC kinase 0.1164 0.6997 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0043 0.003 0.0042
Onchocerca volvulus 0.0138 0.0623 0.3485
Trypanosoma cruzi NIMA-related kinase, putative 0.0043 0.003 0.0063
Loa Loa (eye worm) glutamate receptor 0.1174 0.7058 0.692
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0043 0.003 0.0063
Echinococcus multilocularis protein kinase c iota type 0.04 0.2248 0.2248
Echinococcus granulosus Protein kinase C brain isozyme 0.04 0.2248 0.2248
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0444 0.2525 0.2174
Trichomonas vaginalis AGC family protein kinase 0.1196 0.72 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.04 0.2248 0.1884
Echinococcus granulosus receptor type guanylyl cyclase 0.0138 0.0623 0.0623
Echinococcus granulosus mitogen activated protein kinase 14 0.0444 0.2525 0.2525
Entamoeba histolytica PH domain containing protein kinase, putative 0.0043 0.003 0.0042
Echinococcus multilocularis tyrosine kinase 0.0138 0.0623 0.0623
Echinococcus multilocularis glutamate receptor 2 0.011 0.0449 0.0449
Trypanosoma brucei rac serine-threonine kinase, putative 0.1196 0.72 1
Leishmania major protein kinase, putative 0.0043 0.003 0.0119
Echinococcus multilocularis mitogen activated protein kinase 11 0.0444 0.2525 0.2525
Echinococcus multilocularis glutamate receptor 2 0.011 0.0449 0.0449
Brugia malayi Hr1 repeat family protein 0.04 0.2248 0.1884
Echinococcus multilocularis mitogen activated protein kinase 14 0.0444 0.2525 0.2525
Entamoeba histolytica protein kinase, putative 0.04 0.2248 0.3123
Entamoeba histolytica protein kinase, putative 0.1164 0.6997 0.9717
Giardia lamblia Kinase, AGC PKA 0.0774 0.4575 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.011 0.0449 0.0449
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.1164 0.6997 0.6855
Echinococcus multilocularis mitogen activated protein kinase 11 0.0444 0.2525 0.2525
Trichomonas vaginalis AGC family protein kinase 0.0433 0.2452 0.3378
Echinococcus granulosus glutamate receptor 2 0.011 0.0449 0.0449
Trichomonas vaginalis AGC family protein kinase 0.1196 0.72 1
Entamoeba histolytica protein kinase, putative 0.0043 0.003 0.0042
Schistosoma mansoni serine/threonine protein kinase 0.04 0.2248 0.2248
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.0043 0.003 0.0042
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.04 0.2248 0.1884
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0043 0.003 0.0119
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.011 0.0449 0.0449
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.04 0.2248 0.2248
Loa Loa (eye worm) hypothetical protein 0.0138 0.0623 0.0182
Entamoeba histolytica PH domain containing protein kinase, putative 0.0807 0.4778 0.6636
Entamoeba histolytica protein kinase, putative 0.1196 0.72 1
Schistosoma mansoni serine/threonine protein kinase 0.04 0.2248 0.2248
Trypanosoma cruzi extracellular receptor, putative 0.011 0.0449 0.094
Trypanosoma brucei protein kinase, putative 0.0043 0.003 0.0042
Echinococcus multilocularis nmda type glutamate receptor 0.011 0.0449 0.0449
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0774 0.4575 0.4575
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0043 0.003 0.0063
Onchocerca volvulus Poor gastrulation protein homolog 0.019 0.0947 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0444 0.2525 0.2525
Plasmodium falciparum calcium-dependent protein kinase 7 0.0043 0.003 0.0066
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0043 0.003 0.0043
Leishmania major protein kinase, putative 0.0043 0.003 0.0119
Echinococcus granulosus NDR protein kinase 0.04 0.2248 0.2248
Echinococcus granulosus nervana 2 0.0764 0.4511 0.4511
Schistosoma mansoni serine/threonine protein kinase 0.04 0.2248 0.2248
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.1334 0.8058 0.8058
Trichomonas vaginalis AGC family protein kinase 0.1196 0.72 1
Echinococcus multilocularis nervana 2 0.0764 0.4511 0.4511
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.011 0.0449 0.0449
Echinococcus multilocularis protein kinase c epsilon type 0.04 0.2248 0.2248
Echinococcus granulosus metabotropic glutamate receptor 2 0.0983 0.5874 0.5874
Schistosoma mansoni glutamate receptor NMDA 0.011 0.0449 0.0449
Echinococcus multilocularis serine threonine protein kinase 0.04 0.2248 0.2248
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.0043 0.003 0.0042
Entamoeba histolytica protein kinase 2, putative 0.0774 0.4575 0.6353
Echinococcus multilocularis Glutaredoxin protein 5 0.0764 0.4511 0.4511
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0301 0.1633 0.124
Trypanosoma brucei serine/threonine-protein kinase NRKB, putative 0.0043 0.003 0.0042
Brugia malayi Protein kinase domain containing protein 0.1196 0.72 0.7069
Entamoeba histolytica p21-activated kinase 0.0043 0.003 0.0042
Schistosoma mansoni serine/threonine kinase 0.04 0.2248 0.2248
Echinococcus multilocularis atrial natriuretic peptide receptor 0.011 0.0449 0.0449
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.0043 0.003 0.0042
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0774 0.4575 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.04 0.2248 0.2248
Loa Loa (eye worm) hypothetical protein 0.04 0.2248 0.1884
Loa Loa (eye worm) hypothetical protein 0.1445 0.8744 0.8685
Trypanosoma cruzi NIMA-related kinase, putative 0.0043 0.003 0.0063
Loa Loa (eye worm) hypothetical protein 0.019 0.0947 0.0522
Echinococcus multilocularis serine:threonine protein kinase N2 0.04 0.2248 0.2248
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0043 0.003 0.0063
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0301 0.1633 0.124
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.04 0.2248 0.2248
Trichomonas vaginalis AGC family protein kinase 0.04 0.2248 0.3094
Echinococcus granulosus serine/threonine protein kinase 0.0807 0.4778 0.4778
Echinococcus granulosus serine:threonine protein kinase N2 0.04 0.2248 0.2248
Brugia malayi Metabotropic glutamate receptor precursor. 0.1174 0.7058 0.692
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0138 0.0623 0.3485
Loa Loa (eye worm) AGC/NDR protein kinase 0.04 0.2248 0.1884
Schistosoma mansoni protein kinase 0.1647 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0764 0.4511 0.4511
Schistosoma mansoni hypothetical protein 0.019 0.0947 0.0947
Schistosoma mansoni serine/threonine-protein kinase 0.0807 0.4778 0.4778
Trichomonas vaginalis AGC family protein kinase 0.1196 0.72 1
Echinococcus granulosus Glutaredoxin protein 5 0.0764 0.4511 0.4511
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.04 0.2248 0.1884
Trichomonas vaginalis AGC family protein kinase 0.04 0.2248 0.3094
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0444 0.2525 0.5285
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0444 0.2525 0.3507
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.04 0.2248 0.2248
Entamoeba histolytica PH domain containing protein kinase, putative 0.0043 0.003 0.0042
Leishmania major folate/biopterin transporter, putative 0.0043 0.003 0.0119
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0043 0.003 0.0063
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.011 0.0449 0.0449
Schistosoma mansoni serine/threonine protein kinase 0.04 0.2248 0.2248
Echinococcus multilocularis GPCR, family 3, C terminal 0.019 0.0947 0.0947
Loa Loa (eye worm) RGC/RGC protein kinase 0.0138 0.0623 0.0182
Echinococcus multilocularis serine:threonine protein kinase N2 0.04 0.2248 0.2248
Echinococcus granulosus tyrosine kinase 0.0138 0.0623 0.0623
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.04 0.2248 0.2248
Schistosoma mansoni protein kinase 0.0138 0.0623 0.0623
Trichomonas vaginalis AGC family protein kinase 0.1196 0.72 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0774 0.4575 1
Echinococcus granulosus protein kinase C gamma type 0.04 0.2248 0.2248
Entamoeba histolytica protein kinase, putative 0.0043 0.003 0.0042
Loa Loa (eye worm) AGC/AKT protein kinase 0.1196 0.72 0.7069
Schistosoma mansoni serine/threonine protein kinase 0.04 0.2248 0.2248
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.039 0.2185 0.3006
Echinococcus granulosus nmda type glutamate receptor 0.011 0.0449 0.0449
Entamoeba histolytica PH domain containing protein kinase, putative 0.0043 0.003 0.0042
Echinococcus multilocularis nervana 2 0.0764 0.4511 0.4511
Brugia malayi metabotropic glutamate receptor type 2 0.0572 0.3319 0.3005
Entamoeba histolytica protein kinase, putative 0.0043 0.003 0.0042
Loa Loa (eye worm) TKL/MLK/ILK protein kinase 0.1647 1 1
Echinococcus multilocularis rac serine:threonine kinase 0.0807 0.4778 0.4778
Trichomonas vaginalis AGC family protein kinase 0.1196 0.72 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0444 0.2525 0.2525
Echinococcus multilocularis receptor type guanylyl cyclase 0.0138 0.0623 0.0623
Schistosoma mansoni serine/threonine-protein kinase 0.0807 0.4778 0.4778
Echinococcus granulosus nervana 2 0.0764 0.4511 0.4511
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0043 0.003 0.0063
Loa Loa (eye worm) hypothetical protein 0.0301 0.1633 0.124
Schistosoma mansoni protein kinase 0.1647 1 1
Echinococcus granulosus protein kinase c iota type 0.04 0.2248 0.2248
Echinococcus multilocularis serine:threonine protein kinase 38 0.04 0.2248 0.2248
Entamoeba histolytica hypothetical protein 0.0043 0.003 0.0042
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0043 0.003 0.0063
Leishmania major serine/threonine-protein kinase a, putative 0.0043 0.003 0.0119
Brugia malayi Protein kinase domain containing protein 0.04 0.2248 0.1884
Schistosoma mansoni metabotropic glutamate receptor 0.0983 0.5874 0.5874
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0983 0.5874 0.5874
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0043 0.003 0.0063
Entamoeba histolytica protein kinase, putative 0.0043 0.003 0.0042
Entamoeba histolytica hypothetical protein 0.011 0.0449 0.0624
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0444 0.2525 0.5285
Echinococcus granulosus glutamate receptor 2 0.011 0.0449 0.0449
Echinococcus granulosus GPCR family 3 C terminal 0.019 0.0947 0.0947
Echinococcus multilocularis Protein kinase C, brain isozyme 0.04 0.2248 0.2248
Entamoeba histolytica hypothetical protein 0.0043 0.003 0.0042
Brugia malayi Protein kinase domain containing protein 0.04 0.2248 0.1884
Schistosoma mansoni serine/threonine protein kinase 0.04 0.2248 0.2248
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0444 0.2525 1
Brugia malayi P38 map kinase family protein 2 0.0444 0.2525 0.2174
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0774 0.4575 0.4575
Schistosoma mansoni metabotropic glutamate receptor 0.0572 0.3319 0.3319
Leishmania major extracellular receptor, putative 0.011 0.0449 0.1778
Entamoeba histolytica protein kinase, putative 0.1196 0.72 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0807 0.4778 1
Brugia malayi protein kinase C II. 0.04 0.2248 0.1884
Loa Loa (eye worm) AGC/PKN protein kinase 0.04 0.2248 0.1884
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.011 0.0449 0.0449
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.04 0.2248 0.2248
Brugia malayi metabotropic GABA-B receptor subtype 2 0.019 0.0947 0.0522
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0043 0.003 0.0119

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 140.3 uM Cytotoxicity against human K562 cells after 72 hrs by MTS assay ChEMBL. 22405646

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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