Detailed information for compound 1402209

Basic information

Technical information
  • TDR Targets ID: 1402209
  • Name: 5-bromo-N-[1-[(5-bromofuran-2-carbonyl)amino] propan-2-yl]furan-2-carboxamide
  • MW: 420.053 | Formula: C13H12Br2N2O4
  • H donors: 2 H acceptors: 2 LogP: 3.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)c1ccc(o1)Br)CNC(=O)c1ccc(o1)Br
  • InChi: 1S/C13H12Br2N2O4/c1-7(17-13(19)9-3-5-11(15)21-9)6-16-12(18)8-2-4-10(14)20-8/h2-5,7H,6H2,1H3,(H,16,18)(H,17,19)
  • InChiKey: SEYUVYWWAMYEGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-N-[2-[(5-bromofuran-2-carbonyl)amino]-1-methyl-ethyl]furan-2-carboxamide
  • 5-bromo-N-[2-[[(5-bromo-2-furyl)-oxomethyl]amino]-1-methylethyl]-2-furancarboxamide
  • 5-bromo-N-[2-[(5-bromofuran-2-carbonyl)amino]-1-methyl-ethyl]-2-furamide
  • 5-bromo-N-[1-[(5-bromofuran-2-yl)carbonylamino]propan-2-yl]furan-2-carboxamide
  • BAS 00167338
  • MLS000104907
  • SMR000054837

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans protein serine/threonine kinase 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
Candida albicans protein serine/threonine 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
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania infantum 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
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK 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
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei polo-like 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 cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative 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
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
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0205 0.7692 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3693 0.3693
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0819 0.0814
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0538 0.0437
Echinococcus multilocularis geminin 0.0205 0.7692 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3693 1
Brugia malayi jmjC domain containing protein 0.0115 0.3748 1
Schistosoma mansoni hypothetical protein 0.0205 0.7692 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3693 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3693 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0211 0.057
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3693 0.4655
Brugia malayi PHD-finger family protein 0.0035 0.0211 0.0562
Plasmodium falciparum phd finger protein, putative 0.0035 0.0211 1
Giardia lamblia Kinase, PLK 0.0114 0.3693 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3693 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0211 0.057
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0538 0.0437
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0538 0.0437
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0538 0.1456
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3693 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3693 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1321 0.3578
Trypanosoma brucei polo-like protein kinase 0.0114 0.3693 0.3693
Brugia malayi jmjC domain containing protein 0.0043 0.0538 0.1435
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3693 1
Brugia malayi Bromodomain containing protein 0.0035 0.0211 0.0562
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0211 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3693 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3693 0.4655
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3693 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1866 0.5053
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3748 0.4728
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0211 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3693 0.4655
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3693 0.3693
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3693 0.9854
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3693 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0819 0.0814
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0211 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3748 0.4728
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0538 0.0437
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3693 0.3693
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2701 0.3329
Echinococcus granulosus geminin 0.0205 0.7692 1
Schistosoma mansoni kinase 0.0058 0.1216 0.1344

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.636 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9935 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) 3.5481 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.526 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) 19.9526 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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