Detailed information for compound 1230500

Basic information

Technical information
  • TDR Targets ID: 1230500
  • Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-(cycloh exanecarbonyl)hydrazinyl)-2-oxoacetamide
  • MW: 383.827 | Formula: C17H22ClN3O5
  • H donors: 3 H acceptors: 3 LogP: 3.52 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(Cl)c(cc1NC(=O)C(=O)NNC(=O)C1CCCCC1)OC
  • InChi: 1S/C17H22ClN3O5/c1-25-13-9-12(14(26-2)8-11(13)18)19-16(23)17(24)21-20-15(22)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
  • InChiKey: SVAXVTUFKPNMGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-chloro-2,5-dimethoxy-phenyl)-2-(N'-(cyclohexanecarbonyl)hydrazino)-2-oxo-acetamide
  • N-(4-chloro-2,5-dimethoxyphenyl)-2-[N'-(cyclohexyl-oxomethyl)hydrazino]-2-oxoacetamide
  • N-(4-chloro-2,5-dimethoxy-phenyl)-2-(N'-(cyclohexanecarbonyl)hydrazino)-2-keto-acetamide
  • N-(4-chloro-2,5-dimethoxy-phenyl)-2-(2-cyclohexylcarbonylhydrazinyl)-2-oxo-ethanamide
  • MLS000680266
  • N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclohexylcarbonyl)hydrazino]-2-oxoacetamide
  • SMR000268420
  • ZINC05101637

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.3762 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0911 0.0911
Echinococcus granulosus intermediate filament protein 0.0033 0.379 0.379
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0012 0.0911 0.0911
Loa Loa (eye worm) intermediate filament protein 0.0033 0.379 0.379
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1652 0.1652
Loa Loa (eye worm) hypothetical protein 0.0016 0.1408 0.1408
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0098 0.0098
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0911 0.0911
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0911 0.0911
Echinococcus multilocularis musashi 0.0033 0.379 0.379
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0911 0.2405
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0911 0.2405
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0911 0.0911
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0911 0.0911
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1652 0.1652
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0911 0.2405
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0911 0.0911
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0911 0.0911
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.3872 0.3872
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0098 0.0098
Echinococcus granulosus lamin 0.0033 0.379 0.379
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0911 0.0911
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.379 0.379
Loa Loa (eye worm) hypothetical protein 0.0012 0.0911 0.0911
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0911 0.0911
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0911 0.0911
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0098 0.0098
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0911 0.0911
Onchocerca volvulus 0.0033 0.379 1
Schistosoma mansoni rotamase 0.0033 0.3872 0.3872
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0911 0.0911
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0911 0.0911
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0911 0.0911
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.3762 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1408 0.1408
Schistosoma mansoni lamin 0.0033 0.379 0.379
Loa Loa (eye worm) hypothetical protein 0.0006 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0015 0.1324 0.1324
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0098 0.0098
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0911 0.0911
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.379 0.379
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0.0611 0.5
Brugia malayi TAR-binding protein 0.0076 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.379 0.379
Trichomonas vaginalis rotamase, putative 0.0033 0.3872 1
Echinococcus multilocularis expressed protein 0.0033 0.3872 0.3872
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0006 0.0098 0.0098
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0911 0.0911
Brugia malayi nuclear receptor NHR-88 0.0012 0.0911 0.0911
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0033 0.379 0.379
Loa Loa (eye worm) hypothetical protein 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0911 0.0911
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0006 0.0098 0.0098
Schistosoma mansoni intermediate filament proteins 0.0033 0.379 0.379
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.3762 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0911 0.0911
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0911 0.0911
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0911 0.0911
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0911 0.0911
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0015 0.1324 0.1324
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0006 0.0098 0.0098
Echinococcus multilocularis lamin 0.0033 0.379 0.379
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0911 0.0911
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0911 0.0911
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0911 0.0911
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0911 0.0911
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0911 0.0911
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.3762 1
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0911 0.0911
Echinococcus granulosus lamin dm0 0.0033 0.379 0.379
Onchocerca volvulus 0.0033 0.379 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0911 0.0911
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0911 0.0911
Brugia malayi hypothetical protein 0.0006 0.0098 0.0098
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0911 0.0911
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.3872 0.3872
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0098 0.0098
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0911 0.0911
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0911 0.0911
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.3762 1
Schistosoma mansoni coup transcription factor 0.0012 0.0911 0.0911
Echinococcus granulosus expressed protein 0.0033 0.3872 0.3872
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0911 0.0911
Schistosoma mansoni lamin 0.0033 0.379 0.379
Onchocerca volvulus 0.0012 0.0911 0.2405
Brugia malayi nuclear receptor RXR 0.0006 0.0098 0.0098
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1408 0.1408
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0911 0.0911
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.3706 0.3706
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0911 0.0911
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0006 0.0098 0.0098
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.3762 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0911 0.0911
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.3872 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0911 0.0911
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0911 0.0911
Brugia malayi steroid hormone receptor 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0012 0.0911 0.0911
Brugia malayi intermediate filament protein 0.0033 0.379 0.379
Brugia malayi ecdysteroid receptor 0.0012 0.0911 0.0911
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0911 0.0911
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0911 0.0911
Brugia malayi nuclear hormone receptor 0.0012 0.0911 0.0911
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0911 0.0911
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0012 0.0911 0.0911
Brugia malayi hypothetical protein 0.0006 0.0098 0.0098

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0794 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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