Detailed information for compound 1765828

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 300.309 | Formula: C16H16N2O4
  • H donors: 2 H acceptors: 2 LogP: 2.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)/C=N/NC(=O)c1ccccc1OC)O
  • InChi: 1S/C16H16N2O4/c1-21-12-7-8-14(19)11(9-12)10-17-18-16(20)13-5-3-4-6-15(13)22-2/h3-10,19H,1-2H3,(H,18,20)/b17-10+
  • InChiKey: QEKYUBIQZNDHKD-LICLKQGHSA-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
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0067 0.049 0.0547
Giardia lamblia Kinase, CDC7 0.0064 0.0405 0.0451
Trichomonas vaginalis CMGC family protein kinase 0.0413 0.8964 1
Plasmodium vivax protein kinase Crk2 0.005 0.007 0.0078
Trypanosoma cruzi cdc2-related kinase 3 0.005 0.007 0.0078
Plasmodium falciparum protein serine/threonine kinase-1 0.0067 0.049 0.0547
Echinococcus multilocularis cyclin dependent kinase 5 0.005 0.007 0.0078
Schistosoma mansoni serine/threonine protein kinase 0.0175 0.3128 0.3489
Entamoeba histolytica protein kinase domain containing protein 0.0055 0.0189 0.0211
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0165 0.289 0.289
Brugia malayi Protein kinase domain containing protein 0.0067 0.049 0.049
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.005 0.007 0.0078
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.005 0.007 0.007
Giardia lamblia Kinase, CMGC GSK 0.0055 0.0189 0.0211
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.0405 0.0451
Onchocerca volvulus 0.0064 0.0405 0.047
Echinococcus granulosus rho-associated protein kinase 1 0.0152 0.2559 0.2855
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.0405 0.0451
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0189 0.0211
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0055 0.0189 0.0211
Entamoeba histolytica protein kinase domain containing protein 0.0055 0.0189 0.0211
Trichomonas vaginalis CMGC family protein kinase 0.0413 0.8964 1
Schistosoma mansoni protein kinase 0.0413 0.8964 1
Brugia malayi intracellular kinase 0.0055 0.0189 0.0189
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0067 0.049 0.0547
Echinococcus granulosus CDC7 cell division cycle 7 0.0064 0.0405 0.0451
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0165 0.289 0.289
Trypanosoma cruzi cdc2-related kinase 3 0.005 0.007 0.0078
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.005 0.007 0.0078
Loa Loa (eye worm) hypothetical protein 0.0084 0.0892 0.0892
Leishmania major protein kinase, putative 0.0067 0.049 0.0547
Schistosoma mansoni protein kinase 0.0067 0.0484 0.054
Trypanosoma cruzi cdc2-related kinase 1 0.005 0.007 0.0078
Echinococcus multilocularis 0.0059 0.0289 0.0322
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.005 0.007 0.007
Leishmania major casein kinase II, putative 0.0413 0.8964 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0055 0.0189 0.0211
Onchocerca volvulus 0.0152 0.2559 0.5161
Trypanosoma brucei cdc2-related kinase 3 0.005 0.007 0.0078
Entamoeba histolytica protein kinase, putative 0.0055 0.0189 0.0211
Echinococcus granulosus cyclin dependent kinase 0.005 0.007 0.0078
Plasmodium vivax unspecified product 0.0413 0.8964 1
Plasmodium falciparum protein kinase 5 0.005 0.007 0.0078
Echinococcus multilocularis cyclin dependent kinase 1 0.005 0.007 0.0078
Brugia malayi Protein kinase domain containing protein 0.0165 0.289 0.289
Trichomonas vaginalis CMGC family protein kinase 0.005 0.007 0.0078
Echinococcus granulosus protein kinase 0.0067 0.0484 0.054
Echinococcus granulosus hypothetical protein 0.0059 0.0289 0.0322
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0405 0.0451
Brugia malayi Homeodomain interacting protein kinase protein 1 0.0175 0.3128 0.3128
Brugia malayi Protein kinase domain containing protein 0.005 0.007 0.007
Echinococcus multilocularis CDC7 cell division cycle 7 0.0064 0.0405 0.0451
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0067 0.049 0.0547
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0165 0.289 0.3224
Brugia malayi cell division control protein 2 homolog 0.005 0.007 0.007
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0175 0.3128 0.3489
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0055 0.0189 0.0211
Trichomonas vaginalis CMGC family protein kinase 0.0413 0.8964 1
Echinococcus granulosus protein kinase shaggy 0.0055 0.0189 0.0211
Entamoeba histolytica cell division protein kinase 2, putative 0.005 0.007 0.0078
Brugia malayi Protein kinase domain containing protein 0.0064 0.0405 0.0405
Plasmodium vivax glycogen synthase kinase 3, putative 0.0055 0.0189 0.0211
Toxoplasma gondii CMGC kinase, CK2 family 0.0413 0.8964 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0055 0.0189 0.0189
Echinococcus multilocularis dual specificity protein kinase clk2 0.0067 0.049 0.0547
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0413 0.8964 1
Trichomonas vaginalis CMGC family protein kinase 0.0413 0.8964 1
Leishmania major protein kinase, putative 0.0067 0.049 0.0547
Trichomonas vaginalis CMGC family protein kinase 0.0413 0.8964 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.005 0.007 0.0078
Schistosoma mansoni serine/threonine protein kinase 0.005 0.007 0.0078
Trypanosoma brucei cdc2-related kinase 1 0.005 0.007 0.0078
Trypanosoma brucei protein kinase, putative 0.0055 0.0189 0.0211
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0413 0.8964 0.8964
Giardia lamblia Kinase, CMGC CK2 0.0413 0.8964 1
Brugia malayi probable protein kinase 0.0092 0.1093 0.1093
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0165 0.289 0.289
Echinococcus granulosus casein kinase ii subunit alpha 0.0413 0.8964 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0189 0.0211
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0067 0.049 0.0547
Plasmodium falciparum glycogen synthase kinase 3 0.0055 0.0189 0.0211
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0067 0.0484 0.0484
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0055 0.0189 0.0189
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0175 0.3128 0.3489
Echinococcus multilocularis protein kinase shaggy 0.0055 0.0189 0.0211
Schistosoma mansoni serine/threonine protein kinase 0.0165 0.289 0.3224
Loa Loa (eye worm) CAMK/CAMKL/PASK protein kinase 0.0242 0.4781 0.4781
Trichomonas vaginalis CMGC family protein kinase 0.0413 0.8964 1
Onchocerca volvulus 0.0144 0.2358 0.4723
Plasmodium falciparum casein kinase 2, alpha subunit 0.0413 0.8964 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0055 0.0189 0.0211
Echinococcus granulosus cyclin dependent kinase 1 0.005 0.007 0.0078
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0067 0.049 0.0547
Trichomonas vaginalis CMGC family protein kinase 0.0064 0.0405 0.0451
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.005 0.007 0.007
Brugia malayi Casein kinase II, alpha chain 0.0413 0.8964 0.8964
Entamoeba histolytica protein kinase domain containing protein 0.0175 0.3128 0.3489
Trichomonas vaginalis CMGC family protein kinase 0.0413 0.8964 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0067 0.049 0.0547
Onchocerca volvulus 0.0242 0.4781 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0055 0.0189 0.0211
Entamoeba histolytica cell division protein kinase 2, putative 0.005 0.007 0.0078
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.005 0.007 0.0078
Trichomonas vaginalis CMGC family protein kinase 0.005 0.007 0.0078
Schistosoma mansoni serine/threonine protein kinase 0.005 0.007 0.0078
Echinococcus multilocularis casein kinase ii subunit alpha 0.0413 0.8964 1
Giardia lamblia Kinase, CMGC CDK 0.005 0.007 0.0078
Giardia lamblia Kinase, CMGC CDK 0.005 0.007 0.0078
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0067 0.049 0.049
Giardia lamblia Kinase, CMGC CLK 0.0067 0.049 0.0547
Plasmodium vivax serine/threonine kinase-1, putative 0.0067 0.049 0.0547
Echinococcus multilocularis 0.0067 0.0484 0.054
Echinococcus granulosus dual specificity protein kinase clk2 0.0067 0.049 0.0547
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0084 0.0892 0.0995
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.049 0.0547
Entamoeba histolytica casein kinase, putative 0.0413 0.8964 1
Trypanosoma brucei Casein kinase II 0.0413 0.8964 1
Schistosoma mansoni protein kinase 0.0092 0.1093 0.1219
Trichomonas vaginalis CMGC family protein kinase 0.0067 0.049 0.0547
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0455 1 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0067 0.049 0.0547
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0165 0.289 0.5881
Trypanosoma cruzi casein kinase II, putative 0.0413 0.8964 1
Schistosoma mansoni serine/threonine protein kinase 0.0152 0.2559 0.2855
Entamoeba histolytica protein kinase domain containing protein 0.0413 0.8964 1
Echinococcus multilocularis cyclin dependent kinase 1 0.005 0.007 0.0078
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0175 0.3128 0.3128
Trypanosoma cruzi cdc2-related kinase 1 0.005 0.007 0.0078
Loa Loa (eye worm) hypothetical protein 0.0059 0.0289 0.0289
Echinococcus multilocularis rho associated protein kinase 0.0152 0.2559 0.2855
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0055 0.0189 0.0211
Onchocerca volvulus 0.0064 0.0405 0.047
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.049 0.0547
Loa Loa (eye worm) CDC7 protein kinase 0.0064 0.0405 0.0405
Trichomonas vaginalis CMGC family protein kinase 0.005 0.007 0.0078
Echinococcus granulosus cyclin dependent kinase 5 0.005 0.007 0.0078
Giardia lamblia Kinase, CMGC GSK 0.0055 0.0189 0.0211
Echinococcus multilocularis cyclin dependent kinase 0.005 0.007 0.0078
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0165 0.289 0.3224

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Antileishmanial activity against promastigotes of Leishmania major after 72 hrs by Neubauer counting chamber-based microscopic analysis ChEMBL. 23608761

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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