Detailed information for compound 1264284

Basic information

Technical information
  • TDR Targets ID: 1264284
  • Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbon yl)piperazin-1-yl]pyrrolidine-2,5-dione
  • MW: 397.381 | Formula: C20H19N3O6
  • H donors: 0 H acceptors: 3 LogP: 1.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(C(=O)N1c1ccc2c(c1)OCO2)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C20H19N3O6/c24-18-11-14(19(25)23(18)13-3-4-15-17(10-13)29-12-28-15)21-5-7-22(8-6-21)20(26)16-2-1-9-27-16/h1-4,9-10,14H,5-8,11-12H2
  • InChiKey: VIBTXOKSWZEOQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(1,3-benzodioxol-5-yl)-3-[4-(2-furyl-oxomethyl)-1-piperazinyl]pyrrolidine-2,5-dione
  • 1-(1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-quinone
  • 1-(1,3-benzodioxol-5-yl)-3-(4-furan-2-ylcarbonylpiperazin-1-yl)pyrrolidine-2,5-dione
  • 1-(1,3-benzodioxol-5-yl)-3-[4-(2-furoyl)-1-piperazinyl]-2,5-pyrrolidinedione
  • MLS000097179
  • SMR000076749
  • STK167421

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0104 0.3156 0.4173
Schistosoma mansoni zinc finger protein 0.0104 0.3156 0.4173
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0221 0.7563 0.7513
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0104 0.3156 0.3018
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0221 0.7563 0.7513
Echinococcus multilocularis ecdysone induced protein 78C 0.0221 0.7563 0.7513
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.142 0.1246
Brugia malayi ecdysteroid receptor 0.0221 0.7563 0.7513
Brugia malayi hypothetical protein 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0117 0.3628 0.3499
Brugia malayi hypothetical protein 0.0117 0.3628 0.3499
Echinococcus granulosus ecdysone induced protein 78C 0.0221 0.7563 0.7513
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0221 0.7563 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0104 0.3156 0.3018
Onchocerca volvulus 0.0104 0.3156 0.2826
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0221 0.7563 0.7513
Brugia malayi nuclear hormone receptor 0.0104 0.3156 0.3018
Loa Loa (eye worm) nuclear hormone receptor 0.0104 0.3156 0.3018
Loa Loa (eye worm) steroid hormone receptor 0.0221 0.7563 0.7513
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0104 0.3156 0.3018
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0104 0.3156 0.3018
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0221 0.7563 0.7513
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0131 0.4158 0.404
Echinococcus multilocularis thyroid hormone receptor alpha 0.0221 0.7563 0.7513
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0221 0.7563 0.7513
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0131 0.4158 0.404
Loa Loa (eye worm) hypothetical protein 0.0117 0.3628 0.3499
Schistosoma mansoni voltage-gated potassium channel 0.0143 0.4612 0.6098
Brugia malayi hypothetical protein 0.0117 0.3628 0.3499
Onchocerca volvulus Bile acid receptor homolog 0.0221 0.7563 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0221 0.7563 0.7513
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0104 0.3156 0.3018
Brugia malayi Nuclear hormone receptor E75 0.0104 0.3156 0.3018
Loa Loa (eye worm) DR-78 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0221 0.7563 0.7513
Brugia malayi hypothetical protein 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0221 0.7563 0.7513
Brugia malayi nuclear hormone receptor family member odr-7 0.0104 0.3156 0.3018
Schistosoma mansoni voltage-gated potassium channel 0.0038 0.0652 0.0862
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0221 0.7563 0.7513
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0198 0.0262
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0221 0.7563 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0221 0.7563 1
Brugia malayi conserved hypotetical protein 0.0104 0.3156 0.3018
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0117 0.3628 0.4797
Loa Loa (eye worm) nuclear receptor NHR-67 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0104 0.3156 0.3018
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0117 0.3628 0.3499
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0117 0.3628 0.3499
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0221 0.7563 0.7513
Schistosoma mansoni steroid hormone receptor ad4bp 0.0221 0.7563 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Schistosoma mansoni coup transcription factor 0.0221 0.7563 1
Schistosoma mansoni voltage-gated potassium channel 0.0143 0.4612 0.6098
Echinococcus multilocularis nuclear receptor nhr 48 0.0104 0.3156 0.3018
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0104 0.3156 0.3018
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0038 0.0652 0.0463
Schistosoma mansoni voltage-gated potassium channel 0.0026 0.0198 0.0262
Brugia malayi nuclear receptor NHR-88 0.0221 0.7563 0.7513
Schistosoma mansoni nuclear receptor 0.0104 0.3156 0.4173
Schistosoma mansoni nuclear receptor nhr-48 0.0104 0.3156 0.4173
Echinococcus granulosus nuclear receptor nhr 48 0.0104 0.3156 0.3018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0221 0.7563 0.7513
Loa Loa (eye worm) hypothetical protein 0.0117 0.3628 0.3499
Brugia malayi Nuclear hormone receptor E75 0.0104 0.3156 0.3018
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0131 0.4158 0.404
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Brugia malayi nuclear receptor RXR 0.0117 0.3628 0.3499
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0221 0.7563 0.7513
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0221 0.7563 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0131 0.4158 0.404
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0026 0.0198 0.0262
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0117 0.3628 0.3499
Brugia malayi Steroid receptor seven-up type 2 0.0221 0.7563 0.7513
Brugia malayi photoreceptor-specific nuclear receptor 0.0221 0.7563 0.7513
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0221 0.7563 0.7513
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0221 0.7563 0.7513
Schistosoma mansoni nuclear receptor 0.0104 0.3156 0.4173
Brugia malayi nuclear receptor RXR 0.0104 0.3156 0.3018
Echinococcus multilocularis FTZ F1 alpha 0.0221 0.7563 0.7513
Brugia malayi nuclear hormone receptor 0.0221 0.7563 0.7513
Brugia malayi tailless protein 0.0104 0.3156 0.3018
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0221 0.7563 0.7513
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0221 0.7563 0.7513
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0221 0.7563 0.7513
Echinococcus multilocularis voltage gated potassium channel 0.0038 0.0652 0.0463
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0221 0.7563 0.7513
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0652 0.0463
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0221 0.7563 0.7513
Loa Loa (eye worm) hypothetical protein 0.0038 0.0652 0.0463
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0221 0.7563 0.7513
Onchocerca volvulus 0.0221 0.7563 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Schistosoma mansoni thyroid hormone receptor 0.0221 0.7563 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.3628 0.3499
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0221 0.7563 0.7513
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0117 0.3628 0.3499
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0221 0.7563 0.7513
Brugia malayi nuclear receptor NHR-67 0.0104 0.3156 0.3018
Brugia malayi Nuclear hormone receptor-like 1 0.0117 0.3628 0.3499
Schistosoma mansoni nuclear hormone receptor 0.0104 0.3156 0.4173
Echinococcus granulosus FTZ F1 alpha 0.0221 0.7563 0.7513
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0198 0.0262
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0122 0.3834 1
Brugia malayi Nuclear hormone receptor-like 1 0.0221 0.7563 0.7513
Echinococcus granulosus Nuclear hormone receptor HR96 0.0104 0.3156 0.3018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0221 0.7563 0.7513
Brugia malayi nuclear receptor NHR-88 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0221 0.7563 0.7513
Loa Loa (eye worm) hypothetical protein 0.0221 0.7563 0.7513
Schistosoma mansoni hypothetical protein 0.0058 0.142 0.1878
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0104 0.3156 0.2826
Schistosoma mansoni RAR-like nuclear receptor 0.0221 0.7563 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0221 0.7563 0.7513
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Schistosoma mansoni retinoic acid receptor RXR 0.0221 0.7563 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0026 0.0198 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0221 0.7563 0.7513
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0221 0.7563 0.7513
Loa Loa (eye worm) hypothetical protein 0.0114 0.3507 0.3375
Brugia malayi ecdysone receptor 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Loa Loa (eye worm) hypothetical protein 0.0221 0.7563 0.7513
Brugia malayi orphan nuclear receptor NR2E1 0.0104 0.3156 0.3018
Onchocerca volvulus Protein ultraspiracle homolog 0.0221 0.7563 1
Schistosoma mansoni voltage-gated potassium channel 0.0038 0.0652 0.0862
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0104 0.3156 0.3018
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0117 0.3628 0.4797
Loa Loa (eye worm) hypothetical protein 0.0221 0.7563 0.7513
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0221 0.7563 0.7513
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0221 0.7563 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0104 0.3156 0.4173
Loa Loa (eye worm) hypothetical protein 0.0104 0.3156 0.3018
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0221 0.7563 0.7513
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0221 0.7563 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0221 0.7563 0.7513
Loa Loa (eye worm) hypothetical protein 0.0221 0.7563 0.7513
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0026 0.0198 0.0262
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0104 0.3156 0.2826
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0221 0.7563 0.7513
Loa Loa (eye worm) hypothetical protein 0.0221 0.7563 0.7513
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0221 0.7563 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0652 0.0463
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0221 0.7563 0.7513
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0221 0.7563 0.7513
Onchocerca volvulus 0.0104 0.3156 0.2826
Schistosoma mansoni nuclear hormone receptor 0.0221 0.7563 1
Schistosoma mansoni nuclear hormone receptor 0.0104 0.3156 0.4173
Schistosoma mansoni survival motor neuron protein 0.0058 0.142 0.1878
Schistosoma mansoni thyroid hormone receptor 0.0221 0.7563 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0104 0.3156 0.3018
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0122 0.3834 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.7563 0.7513
Brugia malayi Nuclear hormone receptor-like 1 0.0117 0.3628 0.3499
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0221 0.7563 0.7513
Brugia malayi nuclear hormone receptor family member nhr-6 0.0104 0.3156 0.3018
Echinococcus granulosus voltage gated potassium channel 0.0038 0.0652 0.0463
Brugia malayi steroid hormone receptor 0.0221 0.7563 0.7513
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0221 0.7563 0.7513

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.

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