Detailed information for compound 1254687

Basic information

Technical information
  • TDR Targets ID: 1254687
  • Name: 5-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]am ino]carbamothioyl]furan-2-carboxamide
  • MW: 426.285 | Formula: C16H16BrN3O4S
  • H donors: 3 H acceptors: 2 LogP: 4.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1C)C)NNC(=S)NC(=O)c1ccc(o1)Br
  • InChi: 1S/C16H16BrN3O4S/c1-9-3-4-11(10(2)7-9)23-8-14(21)19-20-16(25)18-15(22)12-5-6-13(17)24-12/h3-7H,8H2,1-2H3,(H,19,21)(H2,18,20,22,25)
  • InChiKey: XEYHZWAJWQCZME-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-N-[[N'-[2-(2,4-dimethylphenoxy)-1-oxoethyl]hydrazino]-thioxomethyl]-2-furancarboxamide
  • 5-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-2-furamide
  • 5-bromo-N-[[2-(2,4-dimethylphenoxy)ethanoylamino]carbamothioyl]furan-2-carboxamide
  • AN-329/42100995
  • STK126592
  • ARONIS005576
  • ZINC02136068

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Streptococcus pyogenes serotype M1 Streptokinase A Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) 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) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) TAR-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
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma brucei transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi beta-NAC-like protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Babesia bovis NAC domain containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Entamoeba histolytica transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Toxoplasma gondii NAC domain-containing protein Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium yoelii basic transcription factor 3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense nascent polypeptide associated complex alpha subunit, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Leishmania braziliensis basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Cryptosporidium hominis NAC domain protein Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transcription factor btf3 Get druggable targets OG5_127333 All targets in OG5_127333
Leishmania mexicana basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Candida albicans similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp Get druggable targets OG5_127333 All targets in OG5_127333
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Trypanosoma cruzi transcription factor btf3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum BTF domain, basal transcription factor Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Theileria parva transcription factor BTF3, putative Get druggable targets OG5_127333 All targets in OG5_127333
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Plasmodium falciparum basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Leishmania major basic transcription factor 3a, putative Get druggable targets OG5_127333 All targets in OG5_127333
Loa Loa (eye worm) ICD-1 protein Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
Plasmodium vivax basic transcription factor 3b, putative Get druggable targets OG5_127333 All targets in OG5_127333
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K01527 nascent polypeptide-associated complex subunit beta, putative Get druggable targets OG5_127333 All targets in OG5_127333
Neospora caninum hypothetical protein Get druggable targets OG5_127333 All targets in OG5_127333
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
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
Trypanosoma brucei transcription factor BTF3, putative 0.0042 0.0327 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1616 0.1616
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4748 0.4571
Schistosoma mansoni transient receptor potential channel 4 0.0117 1 1
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.9496 0.9479
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0504 0.0183
Schistosoma mansoni transient receptor potential channel 0.0078 0.4881 0.4708
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4748 0.4571
Loa Loa (eye worm) RNA binding protein 0.0076 0.4748 0.4748
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0327 0.5
Schistosoma mansoni transient receptor potential channel 0.0078 0.4881 0.4708
Loa Loa (eye worm) hypothetical protein 0.0052 0.1616 0.1616
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4748 0.4748
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1616 0.2916
Toxoplasma gondii NAC domain-containing protein 0.0042 0.0327 0.5
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0504 0.0183
Plasmodium vivax basic transcription factor 3b, putative 0.0042 0.0327 0.5
Leishmania major basic transcription factor 3a, putative 0.0042 0.0327 0.5
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.9496 0.9479
Loa Loa (eye worm) hypothetical protein 0.0044 0.0504 0.0504
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4748 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1616 0.2916
Loa Loa (eye worm) hypothetical protein 0.0117 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4748 0.4571
Schistosoma mansoni transient receptor potential channel 0.0117 1 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.4881 0.4708
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4748 0.4748
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.4881 0.4708
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0327 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0327 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0327 0.5
Brugia malayi RNA binding protein 0.0076 0.4748 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0042 0.0327 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.4881 0.4708
Loa Loa (eye worm) ICD-1 protein 0.0042 0.0327 0.0327
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4748 0.4571
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0504 0.04
Brugia malayi TAR-binding protein 0.0076 0.4748 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4748 0.4571
Entamoeba histolytica hypothetical protein 0.0042 0.0327 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4748 0.4571
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.4748 0.4571
Entamoeba histolytica transcription factor BTF3, putative 0.0042 0.0327 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.4377 0.4377
Trypanosoma cruzi transcription factor btf3, putative 0.0042 0.0327 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.4881 0.4708

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) < 0.06 um PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)] ChEMBL. No reference
EC50 (functional) 13.3333 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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