Detailed information for compound 1302135

Basic information

Technical information
  • TDR Targets ID: 1302135
  • Name: 2-[3-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl ]phenyl]-2,4-dioxothieno[2,3-e]pyrimidin-1-yl ]-N-phenylacetamide
  • MW: 514.552 | Formula: C27H22N4O5S
  • H donors: 2 H acceptors: 4 LogP: 3.09 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(Cc1ccc(cc1)n1c(=O)n(CC(=O)Nc2ccccc2)c2c(c1=O)scc2)NCc1ccco1
  • InChi: 1S/C27H22N4O5S/c32-23(28-16-21-7-4-13-36-21)15-18-8-10-20(11-9-18)31-26(34)25-22(12-14-37-25)30(27(31)35)17-24(33)29-19-5-2-1-3-6-19/h1-14H,15-17H2,(H,28,32)(H,29,33)
  • InChiKey: ZYRHZEKYNWLCNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[4-[2-(2-furylmethylamino)-2-oxo-ethyl]phenyl]-2,4-dioxo-thieno[2,3-e]pyrimidin-1-yl]-N-phenyl-acetamide
  • 2-[3-[4-[2-(2-furylmethylamino)-2-oxoethyl]phenyl]-2,4-dioxo-1-thieno[2,3-e]pyrimidinyl]-N-phenylacetamide
  • 2-[3-[4-[2-(2-furylmethylamino)-2-keto-ethyl]phenyl]-2,4-diketo-thieno[2,3-e]pyrimidin-1-yl]-N-phenyl-acetamide
  • 2-[3-[4-[2-(furan-2-ylmethylamino)-2-oxo-ethyl]phenyl]-2,4-dioxo-thieno[2,3-e]pyrimidin-1-yl]-N-phenyl-ethanamide
  • 2-{4-[1-(2-anilino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]phenyl}-N-(2-furylmethyl)acetamide
  • MLS000730351
  • SMR000308627

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 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
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ecdysteroid receptor 0.002 0.275 0.275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.275 0.275
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.275 0.275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.275 0.275
Schistosoma mansoni coup transcription factor 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.275 0.275
Brugia malayi nuclear hormone receptor 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.275 0.275
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.275 0.275
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.275 0.275
Loa Loa (eye worm) hypothetical protein 0.002 0.275 0.275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.275 0.275
Echinococcus multilocularis FTZ F1 alpha 0.002 0.275 0.275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.275 0.275
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.275 0.275
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.275 0.275
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.275 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.275 0.275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.275 0.275
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.275 0.275
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.275 0.275
Schistosoma mansoni thyroid hormone receptor 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.275 0.275
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.275 0.275
Loa Loa (eye worm) hypothetical protein 0.002 0.275 0.275
Loa Loa (eye worm) hypothetical protein 0.002 0.275 0.275
Loa Loa (eye worm) hypothetical protein 0.002 0.275 0.275
Onchocerca volvulus Bile acid receptor homolog 0.002 0.275 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.275 0.275
Brugia malayi steroid hormone receptor 0.002 0.275 0.275
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.275 0.275
Brugia malayi Steroid receptor seven-up type 2 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.275 0.275
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.275 0.5
Onchocerca volvulus 0.002 0.275 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.275 0.275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.275 0.275
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.275 0.275
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.275 0.275
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.275 0.275
Schistosoma mansoni thyroid hormone receptor 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.275 0.275
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.275 0.275
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.275 0.275
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.275 0.275
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.275 0.275
Loa Loa (eye worm) steroid hormone receptor 0.002 0.275 0.275
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.275 0.275
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.275 0.275
Echinococcus granulosus FTZ F1 alpha 0.002 0.275 0.275
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.275 0.275
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.275 0.275
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.275 0.275
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.275 0.275
Loa Loa (eye worm) hypothetical protein 0.002 0.275 0.275
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.275 0.275
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.275 0.275
Brugia malayi nuclear receptor NHR-88 0.002 0.275 0.275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.275 0.275
Schistosoma mansoni nuclear hormone receptor 0.002 0.275 0.275
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.275 0.275
Loa Loa (eye worm) hypothetical protein 0.002 0.275 0.275
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.275 0.275
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.275 0.275
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.275 0.275
Loa Loa (eye worm) hypothetical protein 0.002 0.275 0.275
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.275 0.275

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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