Detailed information for compound 1527196

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.321 | Formula: C14H12N2O4S
  • H donors: 2 H acceptors: 2 LogP: 1.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1sccc1C(=O)N)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C14H12N2O4S/c15-13(18)9-3-4-21-14(9)16-12(17)6-8-1-2-10-11(5-8)20-7-19-10/h1-5H,6-7H2,(H2,15,18)(H,16,17)
  • InChiKey: DNTZWULJNGOBHG-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 8 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Stress-activated protein kinase jnk-1 Get druggable targets OG5_129677 All targets in OG5_129677
Echinococcus granulosus c-Jun N-terminal kinases Get druggable targets OG5_129677 All targets in OG5_129677
Echinococcus multilocularis c Jun NH2 terminal kinase Get druggable targets OG5_129677 All targets in OG5_129677
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Schistosoma japonicum ko:K04440 c-Jun N-terminal kinase, putative Get druggable targets OG5_129677 All targets in OG5_129677
Schistosoma japonicum IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing Get druggable targets OG5_129677 All targets in OG5_129677

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
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0118 0.3295 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1322 0.1348
Giardia lamblia Aurora kinase 0.0118 0.3295 0.5
Onchocerca volvulus 0.0021 0 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.01 0.2678 0.2732
Echinococcus granulosus aurora kinase A 0.0118 0.3295 0.3361
Loa Loa (eye worm) hypothetical protein 0.0057 0.1237 0.1262
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.3295 0.3295
Echinococcus multilocularis 0.0095 0.2524 0.2574
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0036 0.0519 0.0519
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0167 0.4959 0.5057
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0118 0.3295 0.3361
Brugia malayi Stress-activated protein kinase jnk-1 0.028 0.8811 0.8811
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0118 0.3295 1
Schistosoma mansoni serine/threonine protein kinase 0.028 0.8811 0.8811
Schistosoma mansoni hypothetical protein 0.0078 0.1925 0.1925
Echinococcus multilocularis epidermal growth factor receptor 0.0167 0.4959 0.5057
Loa Loa (eye worm) AUR protein kinase 0.0118 0.3295 0.3361
Echinococcus granulosus insulin receptor 0.01 0.2678 0.2732
Echinococcus multilocularis ryanodine receptor 44f 0.0255 0.796 0.8119
Loa Loa (eye worm) AUR protein kinase 0.0118 0.3295 0.3361
Plasmodium falciparum serine/threonine protein kinase, putative 0.0118 0.3295 0.5
Trichomonas vaginalis AGC family protein kinase 0.0118 0.3295 1
Entamoeba histolytica protein kinase , putative 0.0118 0.3295 1
Loa Loa (eye worm) ryanodine receptor 0.0074 0.1812 0.1848
Echinococcus granulosus ryanodine receptor 44f 0.0255 0.796 0.8119
Brugia malayi serine/threonine protein kinase 6 0.0118 0.3295 0.3295
Echinococcus multilocularis insulin receptor 0.01 0.2678 0.2732
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0096 0.2559 0.2559
Schistosoma mansoni tyrosine kinase 0.0167 0.4959 0.4959
Schistosoma mansoni ryanodine receptor related 0.0315 1 1
Echinococcus multilocularis aurora kinase A 0.0118 0.3295 0.3361
Loa Loa (eye worm) AUR protein kinase 0.0118 0.3295 0.3361
Echinococcus multilocularis ryanodine receptor 44f 0.0199 0.6051 0.6172
Loa Loa (eye worm) TK/EGFR protein kinase 0.0309 0.9805 1
Loa Loa (eye worm) ryanodine receptor 0.0118 0.3286 0.3351
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0118 0.3295 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.6051 0.6172
Entamoeba histolytica protein kinase, putative 0.0118 0.3295 1
Entamoeba histolytica protein kinase domain containing protein 0.0118 0.3295 1
Schistosoma mansoni tyrosine kinase 0.0164 0.485 0.485
Brugia malayi Protein kinase domain containing protein 0.01 0.2678 0.2678
Brugia malayi serine/threonine-protein kinase 6 0.0118 0.3295 0.3295
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.028 0.8811 0.8987
Schistosoma mansoni tyrosine kinase 0.0164 0.485 0.485
Trypanosoma cruzi aurora B kinase, putative 0.0118 0.3295 1
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0038 0.0588 0.0588
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0118 0.3295 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.01 0.2678 0.2732
Trichomonas vaginalis AGC family protein kinase 0.0118 0.3295 1
Echinococcus multilocularis epidermal growth factor receptor 0.0309 0.9805 1
Schistosoma mansoni tyrosine kinase 0.0167 0.4959 0.4959
Trichomonas vaginalis AGC family protein kinase 0.0118 0.3295 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.01 0.2678 0.2732
Trypanosoma brucei aurora B kinase 0.0118 0.3295 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0118 0.3295 0.3361
Schistosoma mansoni tyrosine kinase 0.01 0.2678 0.2678
Echinococcus multilocularis c Jun NH2 terminal kinase 0.028 0.8811 0.8987
Schistosoma mansoni tyrosine kinase 0.0164 0.485 0.485
Echinococcus granulosus c-Jun N-terminal kinases 0.028 0.8811 0.8987
Loa Loa (eye worm) hypothetical protein 0.0038 0.0588 0.0599
Schistosoma mansoni tyrosine kinase 0.01 0.2678 0.2678
Toxoplasma gondii aurora kinase 0.0118 0.3295 0.5
Brugia malayi serine/threonine kinase 12 0.0118 0.3295 0.3295
Echinococcus granulosus ryanodine receptor 44f 0.0199 0.6051 0.6172
Echinococcus granulosus epidermal growth factor receptor 0.0167 0.4959 0.5057
Leishmania major protein kinase, putative 0.0118 0.3295 1
Schistosoma mansoni protein kinase 0.0118 0.3295 0.3295
Echinococcus granulosus epidermal growth factor receptor 0.0309 0.9805 1
Trichomonas vaginalis AGC family protein kinase 0.0118 0.3295 1
Brugia malayi Furin-like cysteine rich region family protein 0.0309 0.9805 0.9805
Brugia malayi cation channel family protein 0.0135 0.3864 0.3864
Schistosoma mansoni tyrosine kinase 0.0309 0.9805 0.9805
Entamoeba histolytica protein kinase, putative 0.0118 0.3295 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.8 uM Inhibition of JNK1 by TR-FRET assay ChEMBL. 21458276

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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