Detailed information for compound 443198

Basic information

Technical information
  • TDR Targets ID: 443198
  • Name: (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]- 1H-indole-5-sulfonamide
  • MW: 317.363 | Formula: C15H15N3O3S
  • H donors: 3 H acceptors: 3 LogP: 1.34 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC/C(=C\1/C(=O)Nc2c1cc(cc2)S(=O)(=O)N)/c1ccc[nH]1
  • InChi: 1S/C15H15N3O3S/c1-2-10(12-4-3-7-17-12)14-11-8-9(22(16,20)21)5-6-13(11)18-15(14)19/h3-8,17H,2H2,1H3,(H,18,19)(H2,16,20,21)/b14-10-
  • InChiKey: UHSRDKFRLMBVOM-UVTDQMKNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]indoline-5-sulfonamide
  • (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-5-indolinesulfonamide
  • (3Z)-2-keto-3-[1-(1H-pyrrol-2-yl)propylidene]indoline-5-sulfonamide

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
Trichomonas vaginalis AGC family protein kinase 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
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 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
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
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
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
Entamoeba histolytica protein kinase, 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
Loa Loa (eye worm) AGC/PDK1 protein kinase 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 japonicum ko:K06276 3-phosphoinositide dependent protein kinase-1, 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
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.6763 1
Brugia malayi phosphoinositide-dependent protein kinase I 0.0059 0.2755 0.3171
Echinococcus granulosus metabotropic glutamate receptor 5 0.0057 0.2633 0.2633
Echinococcus multilocularis geminin 0.017 1 1
Toxoplasma gondii thioredoxin reductase 0.0047 0.2019 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.2019 0.2019
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.6763 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0053 0.235 0.235
Plasmodium falciparum thioredoxin reductase 0.0047 0.2019 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.8689 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0059 0.2755 0.3081
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0057 0.2633 0.2633
Trypanosoma brucei trypanothione reductase 0.0047 0.2019 1
Trichomonas vaginalis AGC family protein kinase 0.0059 0.2755 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.5976 0.8837
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.5976 0.8837
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0059 0.2755 0.2755
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0 0.5
Plasmodium falciparum glutathione reductase 0.0047 0.2019 1
Brugia malayi glutathione reductase 0.0047 0.2019 0.2323
Schistosoma mansoni hypothetical protein 0.017 1 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0042 0.1655 0.1905
Echinococcus multilocularis muscleblind protein 1 0.015 0.8689 0.8689
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.5976 0.8837
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.6763 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0059 0.2755 0.2755
Brugia malayi Thioredoxin reductase 0.0047 0.2019 0.2323
Brugia malayi Muscleblind-like protein 0.015 0.8689 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0059 0.2755 0.3081
Loa Loa (eye worm) glutamate receptor 0.0046 0.1938 0.2128
Loa Loa (eye worm) hypothetical protein 0.015 0.8689 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0039 0.1449 0.1449
Loa Loa (eye worm) hypothetical protein 0.0057 0.2633 0.2938
Echinococcus multilocularis muscleblind protein 0.015 0.8689 0.8689
Trichomonas vaginalis AGC family protein kinase 0.0059 0.2755 1
Schistosoma mansoni metabotropic glutamate receptor 0.0023 0.0396 0.0396
Schistosoma mansoni hypothetical protein 0.017 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.2019 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0046 0.1938 0.223
Mycobacterium tuberculosis Probable reductase 0.0108 0.5976 0.8837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Loa Loa (eye worm) glutathione reductase 0.0047 0.2019 0.2222
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.2019 1
Brugia malayi Protein kinase domain containing protein 0.0059 0.2755 0.3171
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.2019 0.2985
Brugia malayi metabotropic glutamate receptor type 2 0.0023 0.0396 0.0456
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.5976 0.8837
Treponema pallidum NADH oxidase 0.0016 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0039 0.1449 0.1449
Trichomonas vaginalis AGC family protein kinase 0.0059 0.2755 1
Entamoeba histolytica protein kinase, putative 0.0059 0.2755 0.5
Leishmania major trypanothione reductase 0.0047 0.2019 1
Echinococcus granulosus muscleblind protein 0.015 0.8689 0.8689
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.5976 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.2019 0.2019
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.2755 0.2755
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.6763 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.2019 1
Schistosoma mansoni metabotropic glutamate receptor 0.0039 0.1449 0.1449
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.2019 0.2222

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 14 nM Inhibition of PDK1 mediated cAKT2 phosphorylation by AKT2 activation assay ChEMBL. 17531483
IC50 (binding) = 14 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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