Detailed information for compound 1081984

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.134 | Formula: C11H9IN6
  • H donors: 3 H acceptors: 3 LogP: 2.01 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nccc(n1)Nc1cc(I)c2c(c1)cn[nH]2
  • InChi: 1S/C11H9IN6/c12-8-4-7(3-6-5-15-18-10(6)8)16-9-1-2-14-11(13)17-9/h1-5H,(H,15,18)(H3,13,14,16,17)
  • InChiKey: FOIYZNZAROTCFF-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 japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative 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
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma mansoni serine/threonine protein kinase 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
Echinococcus multilocularis 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
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0217 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.024 0.024
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.4027 0.4027
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0011 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0011 0.024 0.024
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0011 0.024 0.024
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.024 0.024
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.024 0.024
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.024 0.024
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0217 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.024 0.024
Schistosoma mansoni nuclear hormone receptor 0.0011 0.024 0.024
Brugia malayi ecdysteroid receptor 0.0011 0.024 0.024
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.024 0.024
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.024 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.4027 0.4027
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.024 0.024
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.024 0.024
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0217 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.024 0.024
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.2792 0.2792
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.024 0.024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.024 0.024
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.4027 0.4027
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.024 0.024
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0011 0.024 0.024
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.024 0.024
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.024 0.024
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.2792 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.024 0.024
Schistosoma mansoni coup transcription factor 0.0011 0.024 0.024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.2792 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.024 0.024
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.2792 0.2792
Onchocerca volvulus Huntingtin homolog 0.0124 0.5601 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.024 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.024 0.024
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.024 0.024
Brugia malayi nuclear hormone receptor 0.0011 0.024 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.024 0.024
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.024 0.024
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.024 0.024
Schistosoma mansoni thyroid hormone receptor 0.0011 0.024 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.024 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.4027 0.4027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.4027 0.4027
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.024 0.024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.2792 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.4027 0.4027
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.024 0.024
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.024 0.024
Onchocerca volvulus Huntingtin homolog 0.0124 0.5601 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.5601 0.5601
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.024 0.024
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.024 0.024
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0011 0.024 0.024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.2792 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0011 0.024 0.024
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.024 0.024
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.024 0.024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.4027 0.4027
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0011 0.024 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.024 0.024
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.2792 0.5
Brugia malayi hypothetical protein 0.0124 0.5601 0.5601
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.024 0.024
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.024 0.024
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.2792 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.4027 0.4027
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.024 0.024
Brugia malayi steroid hormone receptor 0.0011 0.024 0.024
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.2792 0.2792
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.024 0.024
Schistosoma mansoni thyroid hormone receptor 0.0011 0.024 0.024
Brugia malayi nuclear receptor NHR-88 0.0011 0.024 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.024 0.024
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.024 0.024
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.024 0.024
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.024 0.024
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.024 0.024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.024 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.4027 0.4027
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.2792 0.2792
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.024 0.024
Schistosoma mansoni serine/threonine protein kinase 0.0217 1 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.5601 0.5601
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.024 0.024
Echinococcus granulosus FTZ F1 alpha 0.0011 0.024 0.024
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.024 0.024

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9.1 uM Inhibition of MK2 ChEMBL. 19926477

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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