Detailed information for compound 1542187

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 239.289 | Formula: C10H6FNOS2
  • H donors: 1 H acceptors: 1 LogP: 2.9 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=S)SC1=Cc1ccc(cc1)F
  • InChi: 1S/C10H6FNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
  • InChiKey: BQOQSIQMDZUHKF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) RNA binding 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein 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
Schistosoma mansoni tar DNA-binding 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 mansoni 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
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901

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
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0307 0.0296
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0037 0.0093 0.0083
Brugia malayi serine/threonine-protein kinase 6 0.1876 1 1
Entamoeba histolytica protein kinase, putative 0.1876 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0046 0.0141 0.013
Echinococcus granulosus tyrosine protein kinase HCK 0.003 0.0054 0.0043
Loa Loa (eye worm) hypothetical protein 0.0024 0.0025 0.0014
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0046 0.0141 0.013
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0024 0.0025 0.0014
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.0093 0.0083
Brugia malayi Nuclear hormone receptor-like 1 0.0046 0.0141 0.013
Loa Loa (eye worm) hypothetical protein 0.0046 0.0141 0.013
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0141 0.013
Schistosoma mansoni thyroid hormone receptor 0.0046 0.0141 0.013
Brugia malayi nuclear hormone receptor 0.0046 0.0141 0.013
Entamoeba histolytica protein kinase, putative 0.003 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0046 0.0141 0.013
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0024 0.0025 0.0014
Brugia malayi nuclear receptor NHR-88 0.0046 0.0141 0.013
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0046 0.0141 0.013
Loa Loa (eye worm) AUR protein kinase 0.1876 1 1
Trichomonas vaginalis AGC family protein kinase 0.1876 1 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0046 0.0141 0.013
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0307 0.0296
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0046 0.0141 0.013
Echinococcus granulosus tyrosine kinase 0.0033 0.0074 0.0063
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0141 0.013
Trichomonas vaginalis AGC family protein kinase 0.1876 1 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0046 0.0141 0.013
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0123 0.0558 0.0547
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0141 0.013
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0025 0.0014
Schistosoma mansoni retinoic acid receptor RXR 0.0046 0.0141 0.013
Trypanosoma cruzi aurora B kinase, putative 0.1876 1 1
Loa Loa (eye worm) AUR protein kinase 0.1876 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0046 0.0141 0.013
Echinococcus multilocularis tyrosine protein kinase HCK 0.003 0.0054 0.0043
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0037 0.0093 0.0083
Echinococcus granulosus tyrosine protein kinase Lyn 0.0053 0.0179 0.0168
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0037 0.0093 0.0083
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0307 0.0296
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0046 0.0141 0.013
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.0093 0.0083
Echinococcus granulosus ecdysone induced protein 78C 0.0046 0.0141 0.013
Loa Loa (eye worm) hypothetical protein 0.0107 0.0472 0.0462
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0141 0.013
Entamoeba histolytica protein kinase domain containing protein 0.1876 1 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.1876 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0046 0.0141 0.013
Loa Loa (eye worm) steroid hormone receptor 0.0046 0.0141 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0046 0.0141 0.013
Loa Loa (eye worm) RNA binding protein 0.0076 0.0307 0.0296
Echinococcus granulosus tyrosine protein kinase Fyn 0.0037 0.0093 0.0083
Loa Loa (eye worm) AUR protein kinase 0.1876 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0046 0.0141 0.013
Leishmania major protein kinase, putative 0.1876 1 1
Entamoeba histolytica protein kinase, putative 0.0123 0.0558 0.0558
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0307 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0141 0.013
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0046 0.0141 0.013
Loa Loa (eye worm) hypothetical protein 0.0046 0.0141 0.013
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0046 0.0141 0.013
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0307 0.0296
Echinococcus granulosus serine:threonine protein kinase 12 B 0.1876 1 1
Echinococcus granulosus aurora kinase A 0.1876 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0046 0.0141 0.013
Brugia malayi RNA binding protein 0.0076 0.0307 0.0296
Loa Loa (eye worm) hypothetical protein 0.0024 0.0025 0.0014
Schistosoma mansoni tyrosine kinase 0.0037 0.0093 0.0083
Schistosoma mansoni protein kinase 0.1876 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0046 0.0141 0.013
Entamoeba histolytica protein kinase , putative 0.1876 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0032 0.0068 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0046 0.0141 0.013
Echinococcus granulosus tyrosine protein kinase Fyn 0.0037 0.0093 0.0083
Loa Loa (eye worm) TK protein kinase 0.003 0.0054 0.0043
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0037 0.0093 0.0083
Echinococcus multilocularis thyroid hormone receptor alpha 0.0046 0.0141 0.013
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0141 0.013
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0046 0.0141 0.013
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0032 0.0068 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0046 0.0141 0.013
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0037 0.0093 0.0083
Echinococcus multilocularis FTZ F1 alpha 0.0046 0.0141 0.013
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0046 0.0141 0.013
Echinococcus granulosus tyrosine protein kinase Blk 0.0033 0.0074 0.0063
Echinococcus multilocularis tyrosine protein kinase Srms 0.0033 0.0074 0.0063
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0763 0.4005 0.5
Brugia malayi SRC-1 0.0037 0.0093 0.0083
Brugia malayi protein-tyrosine kinase 0.0033 0.0074 0.0063
Loa Loa (eye worm) hypothetical protein 0.0046 0.0141 0.013
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.0093 0.0083
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0046 0.0141 0.013
Loa Loa (eye worm) hypothetical protein 0.0046 0.0141 0.013
Onchocerca volvulus Protein ultraspiracle homolog 0.0046 0.0141 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0141 0.013
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.1876 1 1
Entamoeba histolytica protein kinase, putative 0.1876 1 1
Brugia malayi hypothetical protein 0.0024 0.0025 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0307 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0046 0.0141 0.013
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0024 0.0025 0.0014
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0046 0.0141 0.013
Brugia malayi Protein kinase domain containing protein 0.0123 0.0558 0.0547
Echinococcus granulosus tyrosine protein kinase Src42A 0.0037 0.0093 0.0083
Brugia malayi ecdysteroid receptor 0.0046 0.0141 0.013
Loa Loa (eye worm) TK protein kinase 0.0033 0.0074 0.0063
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0307 0.0296
Brugia malayi nuclear receptor RXR 0.0024 0.0025 0.0014
Plasmodium falciparum serine/threonine protein kinase, putative 0.1876 1 0.5
Trichomonas vaginalis AGC family protein kinase 0.1876 1 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.1876 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0141 0.013
Echinococcus granulosus tyrosine protein kinase Src64B 0.0037 0.0093 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0046 0.0141 0.013
Echinococcus granulosus dual specificity 0.0123 0.0558 0.0547
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.1876 1 1
Giardia lamblia Aurora kinase 0.1876 1 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0037 0.0093 0.0083
Echinococcus multilocularis dual specificity 0.0123 0.0558 0.0547
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0033 0.0074 0.0063
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0046 0.0141 0.013
Entamoeba histolytica protein kinase domain containing protein 0.0123 0.0558 0.0558
Schistosoma mansoni tyrosine kinase 0.0037 0.0093 0.0083
Loa Loa (eye worm) hypothetical protein 0.0046 0.0141 0.013
Entamoeba histolytica protein kinase, putative 0.0123 0.0558 0.0558
Schistosoma mansoni serine/threonine protein kinase 0.0123 0.0558 0.0547
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0307 0.0296
Schistosoma mansoni thyroid hormone receptor 0.0046 0.0141 0.013
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0046 0.0141 0.013
Echinococcus granulosus FTZ F1 alpha 0.0046 0.0141 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0046 0.0141 0.013
Brugia malayi steroid hormone receptor 0.0046 0.0141 0.013
Echinococcus multilocularis aurora kinase A 0.1876 1 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.1876 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0046 0.0141 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0046 0.0141 0.013
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0046 0.0141 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0046 0.0141 0.013
Onchocerca volvulus Bile acid receptor homolog 0.0046 0.0141 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0141 0.013
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0046 0.0141 0.013
Echinococcus granulosus tyrosine protein kinase Fyn 0.0037 0.0093 0.0083
Trichomonas vaginalis AGC family protein kinase 0.1876 1 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0046 0.0141 0.013
Loa Loa (eye worm) hypothetical protein 0.0024 0.0025 0.0014
Schistosoma mansoni serine/threonine protein kinase 0.1876 1 1
Loa Loa (eye worm) SRC-1 0.0037 0.0093 0.0083
Echinococcus multilocularis tyrosine protein kinase Blk 0.0033 0.0074 0.0063
Echinococcus granulosus tar DNA binding protein 0.0076 0.0307 0.0296
Loa Loa (eye worm) hypothetical protein 0.0046 0.0141 0.013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0025 0.0014
Trypanosoma brucei aurora B kinase 0.1876 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0046 0.0141 0.013
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0763 0.4005 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0025 0.0014
Brugia malayi Steroid receptor seven-up type 2 0.0046 0.0141 0.013
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0033 0.0074 0.0063
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0046 0.0141 0.013
Schistosoma mansoni coup transcription factor 0.0046 0.0141 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0046 0.0141 0.013
Loa Loa (eye worm) hypothetical protein 0.0024 0.0025 0.0014
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0037 0.0093 0.0083
Schistosoma mansoni steroid hormone receptor ad4bp 0.0046 0.0141 0.013
Entamoeba histolytica hypothetical protein 0.0123 0.0558 0.0558
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0307 0.0296
Brugia malayi hypothetical protein 0.0024 0.0025 0.0014
Brugia malayi serine/threonine kinase 12 0.1876 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0025 0.0014
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0024 0.0025 0.0014
Toxoplasma gondii aurora kinase 0.1876 1 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0037 0.0093 0.0083
Loa Loa (eye worm) hypothetical protein 0.0107 0.0472 0.0462
Brugia malayi TAR-binding protein 0.0076 0.0307 0.0296
Onchocerca volvulus 0.0046 0.0141 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0046 0.0141 0.013

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 0.622 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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