Detailed information for compound 1353779

Basic information

Technical information
  • TDR Targets ID: 1353779
  • Name: 5-bromo-N-[(2,6-dimethylphenyl)carbamothioyl] furan-2-carboxamide
  • MW: 353.234 | Formula: C14H13BrN2O2S
  • H donors: 2 H acceptors: 1 LogP: 4.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1c(C)cccc1C)NC(=O)c1ccc(o1)Br
  • InChi: 1S/C14H13BrN2O2S/c1-8-4-3-5-9(2)12(8)16-14(20)17-13(18)10-6-7-11(15)19-10/h3-7H,1-2H3,(H2,16,17,18,20)
  • InChiKey: SQPHTEHKMSXMNR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-N-[[(2,6-dimethylphenyl)amino]-thioxomethyl]-2-furancarboxamide
  • 5-bromo-N-[(2,6-dimethylphenyl)thiocarbamoyl]-2-furamide
  • SMR000296544
  • ALD-N010346
  • ARONIS009333
  • AN-329/42831287
  • ZINC02882068
  • 5-bromo-N-{[(2,6-dimethylphenyl)amino]carbonothioyl}-2-furamide
  • MLS000665285

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi RNA recognition motif domain containing protein 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
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative 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 TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
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
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0798 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.7468 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.7468 0.7459
Trypanosoma brucei polo-like protein kinase 0.0114 0.7468 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0036 0.0036
Echinococcus multilocularis tar DNA binding protein 0.0146 1 1
Brugia malayi TAR-binding protein 0.0146 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0798 0.5
Echinococcus granulosus tar DNA binding protein 0.0146 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0106 0.6817 0.6805
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0036 0.0036
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.7468 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7468 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0798 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0106 0.6817 0.6817
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0106 0.6817 0.6805
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.7468 0.7459
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.7468 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3255 0.323
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3255 0.3255
Schistosoma mansoni tar DNA-binding protein 0.0146 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.7468 0.7468
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.7468 0.7459
Schistosoma mansoni hypothetical protein 0.0041 0.1765 0.1735
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0146 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3255 0.3255
Loa Loa (eye worm) hypothetical protein 0.0029 0.0798 0.0765
Schistosoma mansoni kinase 0.0058 0.3081 0.3056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.6817 0.6805
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1765 0.1765
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.7468 0.7459
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7468 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7468 1
Schistosoma mansoni tar DNA-binding protein 0.0146 1 1
Loa Loa (eye worm) RNA binding protein 0.0146 1 1
Schistosoma mansoni tar DNA-binding protein 0.0146 1 1
Loa Loa (eye worm) TAR-binding protein 0.0146 1 1
Giardia lamblia Kinase, PLK 0.0114 0.7468 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.6817 0.6805
Schistosoma mansoni tar DNA-binding protein 0.0146 1 1
Brugia malayi hypothetical protein 0.0029 0.0798 0.0798
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0106 0.6817 0.6805
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.7468 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0106 0.6817 0.6805
Brugia malayi RNA recognition motif domain containing protein 0.0146 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0106 0.6817 0.6805
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.7468 0.5
Schistosoma mansoni tar DNA-binding protein 0.0146 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7468 1
Loa Loa (eye worm) hypothetical protein 0.006 0.3255 0.323
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7468 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7468 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.7468 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1765 0.1735
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0798 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0106 0.6817 0.6805

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.9728 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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