Detailed information for compound 256418

Basic information

Technical information
  • TDR Targets ID: 256418
  • Name: N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[1,2-c]py razol-5-yl]acetamide
  • MW: 331.368 | Formula: C20H17N3O2
  • H donors: 2 H acceptors: 3 LogP: 3.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)c1[nH]nc2c1C(=O)c1c2cccc1NC(=O)C
  • InChi: 1S/C20H17N3O2/c1-3-12-7-9-13(10-8-12)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
  • InChiKey: XVCUYEBIKZDNMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]ethanamide
  • N-[3-(4-ethylphenyl)-4-keto-1H-indeno[1,2-c]pyrazol-5-yl]acetamide
  • N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
  • N-[3-(4-ethylphenyl)-4-keto-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
  • N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]ethanamide
  • Indenopyrazole 5c

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin E2 Starlite/ChEMBL References
Homo sapiens cyclin D1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 Nuclear hormone receptor family member nhr-3 0.0071 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0071 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0071 1 1
Trichomonas vaginalis cyclins, putative 0.0043 0 0.5
Giardia lamblia Cyclin A 0.0043 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0071 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0071 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0071 1 1
Trypanosoma cruzi cyclin, putative 0.0043 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0071 1 1
Trichomonas vaginalis cyclin D, putative 0.0043 0 0.5
Entamoeba histolytica cyclin family protein 0.0043 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0071 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0071 1 1
Schistosoma mansoni coup transcription factor 0.0071 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0071 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0071 1 1
Trypanosoma brucei mitotic cyclin 6 0.0043 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0071 1 1
Trichomonas vaginalis cyclin B3, putative 0.0043 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0071 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0071 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0071 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Trichomonas vaginalis cyclin B, putative 0.0043 0 0.5
Trichomonas vaginalis cyclin B, putative 0.0043 0 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.0043 0 0.5
Brugia malayi steroid hormone receptor 0.0071 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0071 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0071 1 1
Entamoeba histolytica cyclin family protein 0.0043 0 0.5
Trypanosoma cruzi cyclin, putative 0.0043 0 0.5
Trichomonas vaginalis cyclin D, putative 0.0043 0 0.5
Trichomonas vaginalis cyclins, putative 0.0043 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0071 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0071 1 1
Trichomonas vaginalis cyclin B, putative 0.0043 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0071 1 1
Plasmodium falciparum cyclin 0.0043 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0071 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0071 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0071 1 1
Giardia lamblia Hypothetical protein 0.0043 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0071 1 1
Brugia malayi nuclear receptor NHR-88 0.0071 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0071 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0071 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0071 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0043 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0071 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0071 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0071 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0071 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0071 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0071 1 1
Entamoeba histolytica cyclin, putative 0.0043 0 0.5
Trichomonas vaginalis cyclins, putative 0.0043 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0071 1 1
Trypanosoma cruzi cyclin 6, putative 0.0043 0 0.5
Onchocerca volvulus 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0071 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0071 1 1
Trichomonas vaginalis cyclin B, putative 0.0043 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0071 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0043 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0071 1 1
Entamoeba histolytica cyclin, putative 0.0043 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0071 1 1
Trichomonas vaginalis cyclins, putative 0.0043 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0071 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0071 1 1
Trichomonas vaginalis cyclin B, putative 0.0043 0 0.5
Trichomonas vaginalis cyclins, putative 0.0043 0 0.5
Trichomonas vaginalis cyclin A, putative 0.0043 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0071 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0071 1 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0043 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0071 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0071 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0071 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0071 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0071 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 1 1
Leishmania major cyclin 0.0043 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0071 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0071 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0071 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0071 1 1
Brugia malayi nuclear hormone receptor 0.0071 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 280 nM Inhibitory concentration of the compound against Cyclin-dependent kinase 2-cyclin E ChEMBL. 12431051
IC50 (binding) = 280 nM Inhibitory concentration of the compound against Cyclin-dependent kinase 2-cyclin E ChEMBL. 12431051
IC50 (binding) = 640 nM Inhibitory concentration against Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 12431051
IC50 (binding) = 640 nM Inhibitory concentration against Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 12431051

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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