Detailed information for compound 1270650

Basic information

Technical information
  • TDR Targets ID: 1270650
  • Name: 5-[(3-chlorophenyl)methylidene]thieno[2,3-b]t hiopyran-4-one
  • MW: 292.804 | Formula: C14H9ClOS2
  • H donors: 0 H acceptors: 1 LogP: 4.52 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)/C=C/1\CSc2c(C1=O)ccs2
  • InChi: 1S/C14H9ClOS2/c15-11-3-1-2-9(7-11)6-10-8-18-14-12(13(10)16)4-5-17-14/h1-7H,8H2/b10-6+
  • InChiKey: FECFIVWNPOTJPZ-UXBLZVDNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[(3-chlorophenyl)methylidene]thieno[2,3-b]thiopyran-4-one
  • 5-[(3-chlorophenyl)methylene]thieno[2,3-b]thiopyran-4-one
  • (5Z)-5-[(3-chlorophenyl)methylene]thieno[2,3-b]thiopyran-4-one
  • (5Z)-5-[(3-chlorophenyl)methylene]-4-thieno[2,3-b]thiopyranone
  • 5-[(3-chlorophenyl)methylene]-4-thieno[2,3-b]thiopyranone
  • (5Z)-5-(3-chlorobenzylidene)thieno[2,3-b]thiopyran-4-one
  • 5-(3-chlorobenzylidene)thieno[2,3-b]thiopyran-4-one
  • SEW 02094
  • 5-(3-chlorobenzylidene)-5,6-dihydro-4H-thieno[2,3-b]thiin-4-one
  • SR-01000632073-1
  • SMR000460940
  • ZINC00108040
  • MLS000860161

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1168 0.1168
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0285 1 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0421 0.0421
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0285 1 0.5
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0285 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1168 0.1168
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0285 1 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0285 1 0.5
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0285 1 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0285 1 0.5
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0285 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0285 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0285 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0285 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0285 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0421 0.0421
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0285 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0285 1 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0285 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1168 0.1168
Loa Loa (eye worm) hypothetical protein 0.006 0.1168 0.1168
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0285 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3294 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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