Detailed information for compound 443163

Basic information

Technical information
  • TDR Targets ID: 443163
  • Name: (3Z)-5-methoxy-3-(1H-pyrrol-2-ylmethylidene)- 1H-indol-2-one
  • MW: 240.257 | Formula: C14H12N2O2
  • H donors: 2 H acceptors: 1 LogP: 1.69 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2
  • InChi: 1S/C14H12N2O2/c1-18-10-4-5-13-11(8-10)12(14(17)16-13)7-9-3-2-6-15-9/h2-8,15H,1H3,(H,16,17)/b12-7-
  • InChiKey: NUKBQTLXNISBTR-GHXNOFRVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3Z)-5-methoxy-3-(1H-pyrrol-2-ylmethylene)indolin-2-one
  • (3Z)-5-methoxy-3-(1H-pyrrol-2-ylmethylene)-2-indolinone
  • (3Z)-5-methoxy-3-(1H-pyrrol-2-ylmethylene)oxindole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 3-phosphoinositide dependent protein kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) AGC/PDK1 protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 Get druggable targets OG5_128785 All targets in OG5_128785
Candida albicans similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade Get druggable targets OG5_128785 All targets in OG5_128785
Brugia malayi phosphoinositide-dependent protein kinase I Get druggable targets OG5_128785 All targets in OG5_128785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128785 All targets in OG5_128785
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 Get druggable targets OG5_128785 All targets in OG5_128785
Schistosoma japonicum ko:K06276 3-phosphoinositide dependent protein kinase-1, putative Get druggable targets OG5_128785 All targets in OG5_128785
Loa Loa (eye worm) AGC/PDK1 protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Candida albicans similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade Get druggable targets OG5_128785 All targets in OG5_128785
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_128785 All targets in OG5_128785
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
Brugia malayi Steroid receptor seven-up type 2 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.009 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.009 1 1
Schistosoma mansoni thyroid hormone receptor 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.009 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.009 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.009 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.009 1 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.009 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.009 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.009 1 1
Echinococcus granulosus FTZ F1 alpha 0.009 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.009 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.009 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.009 1 1
Brugia malayi steroid hormone receptor 0.009 1 1
Echinococcus multilocularis FTZ F1 alpha 0.009 1 1
Trichomonas vaginalis AGC family protein kinase 0.0059 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.009 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.009 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.009 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.009 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.009 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.009 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.009 1 1
Trichomonas vaginalis AGC family protein kinase 0.0059 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.009 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.009 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.009 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.009 1 1
Loa Loa (eye worm) steroid hormone receptor 0.009 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.009 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.009 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.009 1 1
Brugia malayi nuclear receptor NHR-88 0.009 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.009 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.009 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.009 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.009 1 1
Onchocerca volvulus 0.009 1 0.5
Schistosoma mansoni nuclear hormone receptor 0.009 1 1
Onchocerca volvulus Bile acid receptor homolog 0.009 1 0.5
Brugia malayi nuclear hormone receptor 0.009 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.009 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.009 1 1
Trichomonas vaginalis AGC family protein kinase 0.0059 0 0.5
Entamoeba histolytica protein kinase, putative 0.0059 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.009 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.009 1 1
Schistosoma mansoni thyroid hormone receptor 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.009 1 1
Schistosoma mansoni coup transcription factor 0.009 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.009 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.009 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.009 1 1
Loa Loa (eye worm) hypothetical protein 0.009 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 580 nM Inhibition of PDK1 mediated cAKT2 phosphorylation by AKT2 activation assay ChEMBL. 17531483
IC50 (binding) = 580 nM Inhibition of PDK1 mediated cAKT2 phosphorylation by AKT2 activation assay ChEMBL. 17531483

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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