Detailed information for compound 256419

Basic information

Technical information
  • TDR Targets ID: 256419
  • Name: 1-[2-[(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol- 5-yl)amino]-2-oxoethyl]piperidine-4-carboxami de
  • MW: 381.428 | Formula: C20H23N5O3
  • H donors: 3 H acceptors: 4 LogP: 1.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1n[nH]c2c1C(=O)c1c2cccc1NC(=O)CN1CCC(CC1)C(=O)N
  • InChi: 1S/C20H23N5O3/c1-2-13-17-18(24-23-13)12-4-3-5-14(16(12)19(17)27)22-15(26)10-25-8-6-11(7-9-25)20(21)28/h3-5,11H,2,6-10H2,1H3,(H2,21,28)(H,22,26)(H,23,24)
  • InChiKey: WLDWWLOYMMCQCU-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-[(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxo-ethyl]piperidine-4-carboxamide
  • 1-[2-[(3-ethyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-oxoethyl]-4-piperidinecarboxamide
  • 1-[2-[(3-ethyl-4-keto-2H-indeno[1,2-c]pyrazol-5-yl)amino]-2-keto-ethyl]isonipecotamide
  • Indenopyrazole 13j

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
Loa Loa (eye worm) hypothetical protein 0.1611 0.8574 1
Brugia malayi orphan nuclear receptor NR2E1 0.076 0.3951 0.4573
Echinococcus granulosus FTZ F1 alpha 0.1611 0.8574 1
Leishmania major UDP-galactopyranose mutase 0.0132 0.054 1
Onchocerca volvulus 0.0132 0.054 0.0568
Entamoeba histolytica cyclin, putative 0.0043 0.0056 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0851 0.4446 0.5154
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0132 0.054 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.076 0.3951 0.4573
Loa Loa (eye worm) steroid hormone receptor 0.1611 0.8574 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0132 0.054 0.5
Loa Loa (eye worm) hypothetical protein 0.0851 0.4446 0.5154
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1611 0.8574 1
Brugia malayi conserved hypotetical protein 0.076 0.3951 0.4573
Onchocerca volvulus Bile acid receptor homolog 0.1611 0.8574 1
Onchocerca volvulus 0.076 0.3951 0.4573
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.1611 0.8574 1
Brugia malayi Nuclear hormone receptor-like 1 0.1611 0.8574 1
Brugia malayi nuclear hormone receptor family member odr-7 0.076 0.3951 0.4573
Schistosoma mansoni nuclear hormone receptor 0.076 0.3951 0.4573
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1611 0.8574 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1611 0.8574 1
Echinococcus multilocularis nuclear receptor nhr 48 0.076 0.3951 0.4573
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1611 0.8574 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0132 0.054 0.0568
Schistosoma mansoni thyroid hormone receptor 0.1611 0.8574 1
Schistosoma mansoni amine oxidase 0.0132 0.054 0.0568
Brugia malayi Nuclear hormone receptor-like 1 0.0851 0.4446 0.5154
Trichomonas vaginalis cyclin D, putative 0.0043 0.0056 0.5
Brugia malayi hypothetical protein 0.076 0.3951 0.4573
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1611 0.8574 1
Entamoeba histolytica cyclin, putative 0.0043 0.0056 0.5
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0099 0.005
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1611 0.8574 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0132 0.054 1
Schistosoma mansoni nuclear hormone receptor 0.076 0.3951 0.4573
Brugia malayi nuclear receptor NHR-88 0.1611 0.8574 1
Echinococcus granulosus nuclear receptor nhr 48 0.076 0.3951 0.4573
Brugia malayi Nuclear hormone receptor E75 0.076 0.3951 0.4573
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Brugia malayi hypothetical protein 0.076 0.3951 0.4573
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1611 0.8574 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0132 0.054 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1611 0.8574 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0099 0.005
Loa Loa (eye worm) nuclear hormone receptor 0.076 0.3951 0.4573
Echinococcus multilocularis Nuclear hormone receptor HR96 0.076 0.3951 0.4573
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1611 0.8574 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1611 0.8574 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0132 0.054 1
Loa Loa (eye worm) hypothetical protein 0.0851 0.4446 0.5154
Loa Loa (eye worm) hypothetical protein 0.1611 0.8574 1
Brugia malayi Nuclear hormone receptor-like 1 0.0851 0.4446 0.5154
Loa Loa (eye worm) hypothetical protein 0.1611 0.8574 1
Schistosoma mansoni nuclear receptor nhr-48 0.076 0.3951 0.4573
Echinococcus granulosus nuclear receptor 2DBD gamma 0.076 0.3951 0.4573
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1611 0.8574 1
Trichomonas vaginalis cyclin B, putative 0.0043 0.0056 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.076 0.3951 0.4573
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.076 0.3951 0.4573
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.054 0.0568
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1611 0.8574 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.1611 0.8574 1
Plasmodium vivax hypothetical protein, conserved 0.0132 0.054 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.1611 0.8574 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.076 0.3951 0.4573
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1611 0.8574 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1611 0.8574 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0099 0.005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0099 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0099 0.005
Echinococcus multilocularis thyroid hormone receptor alpha 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.054 0.0568
Trichomonas vaginalis cyclins, putative 0.0043 0.0056 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0132 0.054 0.0568
Echinococcus multilocularis FTZ F1 alpha 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.0851 0.4446 0.5154
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0851 0.4446 0.5154
Toxoplasma gondii histone lysine-specific demethylase 0.0132 0.054 1
Entamoeba histolytica cyclin family protein 0.0043 0.0056 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0132 0.054 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1611 0.8574 1
Brugia malayi nuclear hormone receptor 0.1611 0.8574 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.054 0.0568
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.1611 0.8574 1
Schistosoma mansoni zinc finger protein 0.076 0.3951 0.4573
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.076 0.3951 0.4573
Trypanosoma cruzi UDP-galactopyranose mutase 0.0132 0.054 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1611 0.8574 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1611 0.8574 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0132 0.054 1
Trichomonas vaginalis cyclin B, putative 0.0043 0.0056 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.1611 0.8574 1
Schistosoma mansoni coup transcription factor 0.1611 0.8574 1
Trichomonas vaginalis cyclin B, putative 0.0043 0.0056 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0056 0.5
Brugia malayi nuclear receptor NHR-88 0.076 0.3951 0.4573
Onchocerca volvulus 0.1611 0.8574 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.0132 0.054 0.0568
Brugia malayi photoreceptor-specific nuclear receptor 0.1611 0.8574 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0099 0.005
Trichomonas vaginalis cyclins, putative 0.0043 0.0056 0.5
Giardia lamblia Hypothetical protein 0.0043 0.0056 0.5
Brugia malayi hypothetical protein 0.0132 0.054 0.0568
Brugia malayi ecdysteroid receptor 0.1611 0.8574 1
Echinococcus multilocularis 0.0132 0.054 0.0568
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0132 0.054 0.5
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Brugia malayi Cytochrome P450 family protein 0.0054 0.0117 0.0072
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Trichomonas vaginalis cyclin B3, putative 0.0043 0.0056 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.076 0.3951 0.4573
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1611 0.8574 1
Trichomonas vaginalis cyclins, putative 0.0043 0.0056 0.5
Loa Loa (eye worm) DR-78 0.076 0.3951 0.4573
Schistosoma mansoni thyroid hormone receptor 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.054 0.0568
Brugia malayi hypothetical protein 0.0851 0.4446 0.5154
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.076 0.3951 0.4573
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1742 0.9283 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1611 0.8574 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0043 0.0056 0.5
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Brugia malayi nuclear receptor RXR 0.076 0.3951 0.4573
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Trichomonas vaginalis cyclin B, putative 0.0043 0.0056 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.076 0.3951 0.4573
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1611 0.8574 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1611 0.8574 1
Brugia malayi nuclear hormone receptor 0.076 0.3951 0.4573
Schistosoma mansoni nuclear receptor 0.076 0.3951 0.4573
Loa Loa (eye worm) hypothetical protein 0.0132 0.054 0.0568
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1874 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.076 0.3951 0.4573
Brugia malayi Nuclear hormone receptor E75 0.076 0.3951 0.4573
Schistosoma mansoni nuclear hormone receptor 0.1611 0.8574 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.076 0.3951 0.4573
Loa Loa (eye worm) hypothetical protein 0.1611 0.8574 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.076 0.3951 0.4573
Trypanosoma brucei mitotic cyclin 6 0.0043 0.0056 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.076 0.3951 0.4573
Trichomonas vaginalis cyclin D, putative 0.0043 0.0056 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0132 0.054 0.0568
Loa Loa (eye worm) hypothetical protein 0.1611 0.8574 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0851 0.4446 0.5154
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.076 0.3951 0.4573
Entamoeba histolytica cyclin family protein 0.0043 0.0056 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1611 0.8574 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1611 0.8574 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0851 0.4446 0.5154
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1611 0.8574 1
Onchocerca volvulus Protein ultraspiracle homolog 0.1611 0.8574 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.076 0.3951 0.4573
Loa Loa (eye worm) nuclear receptor nhr-7B 0.076 0.3951 0.4573
Brugia malayi Steroid receptor seven-up type 2 0.1611 0.8574 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1611 0.8574 1
Brugia malayi nuclear receptor RXR 0.0851 0.4446 0.5154
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0132 0.054 0.5
Trichomonas vaginalis cyclins, putative 0.0043 0.0056 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1611 0.8574 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.054 0.0568
Trichomonas vaginalis cyclin B, putative 0.0043 0.0056 0.5
Schistosoma mansoni amine oxidase 0.0132 0.054 0.0568
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Schistosoma mansoni RAR-like nuclear receptor 0.1611 0.8574 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0117 0.0072
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1611 0.8574 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1611 0.8574 1
Brugia malayi tailless protein 0.076 0.3951 0.4573
Brugia malayi hypothetical protein 0.0851 0.4446 0.5154
Brugia malayi SWIRM domain containing protein 0.0132 0.054 0.0568
Plasmodium vivax hypothetical protein, conserved 0.0132 0.054 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0099 0.005
Onchocerca volvulus 0.076 0.3951 0.4573
Loa Loa (eye worm) hypothetical protein 0.0851 0.4446 0.5154
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0851 0.4446 0.5154
Brugia malayi nuclear receptor NHR-67 0.076 0.3951 0.4573
Giardia lamblia Cyclin A 0.0043 0.0056 0.5
Loa Loa (eye worm) hypothetical protein 0.0851 0.4446 0.5154
Brugia malayi steroid hormone receptor 0.1611 0.8574 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0099 0.005
Echinococcus granulosus lysine specific histone demethylase 1A 0.0132 0.054 0.0568
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1611 0.8574 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0132 0.054 0.0568
Loa Loa (eye worm) hypothetical protein 0.076 0.3951 0.4573
Trichomonas vaginalis cyclin A, putative 0.0043 0.0056 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0099 0.005
Loa Loa (eye worm) hypothetical protein 0.1611 0.8574 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1611 0.8574 1
Echinococcus granulosus ecdysone induced protein 78C 0.1611 0.8574 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1611 0.8574 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1611 0.8574 1
Trichomonas vaginalis cyclins, putative 0.0043 0.0056 0.5
Schistosoma mansoni nuclear receptor 0.076 0.3951 0.4573
Echinococcus granulosus lysine specific histone demethylase 1A 0.0132 0.054 0.0568
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1611 0.8574 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.076 0.3951 0.4573
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1611 0.8574 1
Brugia malayi ecdysone receptor 0.076 0.3951 0.4573

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 130 nM Inhibitory concentration of the compound against Cyclin-dependent kinase 2-cyclin E ChEMBL. 12431051
IC50 (binding) > 130 nM Inhibitory concentration of the compound against Cyclin-dependent kinase 2-cyclin E ChEMBL. 12431051
IC50 (binding) > 2600 nM Inhibitory concentration against Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 12431051
IC50 (binding) > 2600 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.

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