Detailed information for compound 958290

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.329 | Formula: C18H14N4O2
  • H donors: 2 H acceptors: 2 LogP: 2.05 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1nccc(c1)c1[nH]c2c(c1)c(=O)[nH]cn2
  • InChi: 1S/C18H14N4O2/c1-24-13-4-2-3-11(7-13)15-8-12(5-6-19-15)16-9-14-17(22-16)20-10-21-18(14)23/h2-10H,1H3,(H2,20,21,22,23)
  • InChiKey: GARQBBNLFNDLEJ-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-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Giardia lamblia DNA topoisomerase II 0.0051 0.1335 0.5
Plasmodium vivax DNA gyrase subunit B, putative 0.0123 0.437 0.3378
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0055 0.1499 1
Leishmania major mitochondrial DNA topoisomerase II 0.0097 0.3295 1
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0217 0.8407 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0055 0.1499 0.1442
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0122 0.4324 1
Chlamydia trachomatis DNA gyrase subunit B 0.008 0.2574 0.236
Trichomonas vaginalis DNA topoisomerase II, putative 0.0055 0.1499 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0097 0.3295 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0055 0.1499 0.1442
Trypanosoma brucei DNA topoisomerase ii 0.0097 0.3295 1
Chlamydia trachomatis DNA gyrase subunit B 0.0123 0.437 0.4208
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0335 0.0399
Loa Loa (eye worm) hypothetical protein 0.0028 0.0335 0.0399
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0217 0.8407 1
Plasmodium falciparum DNA gyrase subunit A 0.0255 1 1
Schistosoma mansoni DNA topoisomerase II 0.0055 0.1499 0.1442
Loa Loa (eye worm) TOPoisomerase family member 0.0055 0.1499 0.1783
Brugia malayi Probable DNA topoisomerase II 0.0055 0.1499 0.1442
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0255 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.028 0.0333
Schistosoma mansoni serine/threonine protein kinase 0.0217 0.8407 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0097 0.3295 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0055 0.1499 0.5
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0255 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0071 0.2169 0.0788
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0055 0.1499 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0055 0.1499 0.1442
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0055 0.1499 0.1442
Brugia malayi map kinase activated protein kinase protein 2 0.0217 0.8407 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0055 0.1499 1
Plasmodium vivax DNA gyrase subunit A, putative 0.0255 1 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0255 1 1
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0217 0.8407 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0335 0.0399
Loa Loa (eye worm) hypothetical protein 0.0027 0.0314 0.0373
Mycobacterium ulcerans DNA gyrase subunit A 0.0255 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.028 0.0333
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0255 1 1
Plasmodium falciparum DNA gyrase subunit B 0.0123 0.437 0.3378

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.2 uM Inhibition of human MK2 ChEMBL. 18945615

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.