Detailed information for compound 1878856

Basic information

Technical information
  • TDR Targets ID: 1878856
  • Name: 2-(2-(furan-2-ylmethylidene)hydrazinyl)-5-pro pyl-1,3-thiazol-4-one
  • MW: 251.305 | Formula: C11H13N3O2S
  • H donors: 1 H acceptors: 1 LogP: 2.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC1SC(=NC1=O)N/N=C/c1ccco1
  • InChi: 1S/C11H13N3O2S/c1-2-4-9-10(15)13-11(17-9)14-12-7-8-5-3-6-16-8/h3,5-7,9H,2,4H2,1H3,(H,13,14,15)/b12-7+
  • InChiKey: ADRLPVMPPUQSNY-KPKJPENVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-((2E)-2-(furan-2-ylmethylidene)hydrazinyl)-5-propyl-1,3-thiazol-4-one
  • 2-(N'-(2-furylmethylene)hydrazino)-5-propyl-thiazol-4-one
  • 2-((N'E)-N'-(2-furylmethylene)hydrazino)-5-propyl-thiazol-4-one
  • 2-(N'-(2-furylmethylene)hydrazino)-5-propyl-4-thiazolone
  • 2-((N'E)-N'-(2-furylmethylene)hydrazino)-5-propyl-4-thiazolone
  • AE-848/11245254
  • 2-furaldehyde (4-oxo-5-propyl-1,3-thiazolidin-2-ylidene)hydrazone
  • MLS000703899
  • SMR000225055

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 nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0592 0.0592
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0592 0.0592
Trichomonas vaginalis ferritin, putative 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0592 0.5
Onchocerca volvulus 0.0012 0.0592 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0592 0.0592
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0592 0.0592
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0592 0.0592
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0592 0.0592
Entamoeba histolytica hypothetical protein 0.0043 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0592 0.0592
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0592 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0592 0.5
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.0592 0.0592
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0592 0.0592
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0592 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0592 0.5
Schistosoma mansoni hypothetical protein 0.0043 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0012 0.0592 0.5
Entamoeba histolytica hypothetical protein 0.0043 1 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0012 0.0592 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0592 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0592 0.0592
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0592 0.0592
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0592 0.0592
Treponema pallidum bacterioferrin (TpF1) 0.001 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0012 0.0592 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0592 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0592 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0592 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0592 0.0592
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0012 0.0592 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0592 0.0592
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0592 0.0592
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0592 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0592 0.0592
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0592 0.0592
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0592 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0592 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0592 0.0592
Entamoeba histolytica hypothetical protein 0.0043 1 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0592 0.0592
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0592 0.0592
Schistosoma mansoni transcription factor LCR-F1 0.0043 1 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0592 0.0592
Entamoeba histolytica hypothetical protein 0.0043 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0592 0.0592
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0592 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0592 0.0592
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0592 0.0592
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0592 0.0592
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0592 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0592 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0592 0.0592
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0592 0.0592

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (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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