Detailed information for compound 1256235

Basic information

Technical information
  • TDR Targets ID: 1256235
  • Name: 2-(4-bromophenyl)-N-hexylacetamide
  • MW: 298.219 | Formula: C14H20BrNO
  • H donors: 1 H acceptors: 1 LogP: 4.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCNC(=O)Cc1ccc(cc1)Br
  • InChi: 1S/C14H20BrNO/c1-2-3-4-5-10-16-14(17)11-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,16,17)
  • InChiKey: PRKPYKAUKGVBSK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-bromophenyl)-N-hexyl-acetamide
  • 2-(4-bromophenyl)-N-hexyl-ethanamide
  • MLS000711865
  • SMR000281632
  • 2-(4-Bromo-phenyl)-N-hexyl-acetamide
  • BAS 02256400
  • ST5012823
  • ZINC04616692

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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 multilocularis 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
Loa Loa (eye worm) 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
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
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0076 0.0144
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0229 0.0201
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0473 0.0446
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0473 0.0446
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0008 0 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0487 0.3314 0.9996
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0473 0.0446
Schistosoma mansoni serine/threonine protein kinase 0.0488 0.3315 0.3296
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0488 0.3315 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0008 0 0.5
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0487 0.3314 0.9996
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.1454 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0028 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.0473 0.0446
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0076 0.0144
Schistosoma mansoni hypothetical protein 0.0041 0.0229 0.0201
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0473 0.0446
Entamoeba histolytica protein kinase, putative 0.0488 0.3315 1
Schistosoma mansoni hypothetical protein 0.0019 0.0076 0.0047
Echinococcus granulosus GPCR family 2 0.0019 0.0076 0.0144
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.036 0.0333
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0008 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0076 0.0144
Schistosoma mansoni serine/threonine protein kinase 0.1454 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0076 0.0047
Onchocerca volvulus 0.0012 0.0028 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0076 0.0047
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0473 0.1353
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.036 0.0333
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0028 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0473 0.0446
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0488 0.3315 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0076 0.0047
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0028 0.5
Brugia malayi TAR-binding protein 0.0076 0.0473 0.0446
Echinococcus granulosus tar DNA binding protein 0.0076 0.0473 0.1353
Loa Loa (eye worm) hypothetical protein 0.0041 0.0229 0.0201
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0076 0.0047
Leishmania major protein kinase, putative 0.0008 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0076 0.0047
Schistosoma mansoni hypothetical protein 0.0019 0.0076 0.0047
Brugia malayi RNA binding protein 0.0076 0.0473 0.0446
Trypanosoma brucei Forkhead Kinase, putative 0.0008 0 0.5
Leishmania major serine-threonine protein kinase-like protein 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0076 0.0047
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0473 0.0446
Echinococcus multilocularis GPCR, family 2 0.0019 0.0076 0.0144
Leishmania major protein kinase, putative 0.0008 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0473 0.0446
Loa Loa (eye worm) hypothetical protein 0.006 0.036 0.0333
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.036 0.0333
Entamoeba histolytica protein kinase, putative 0.0488 0.3315 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0473 0.0446
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0076 0.0144
Leishmania major protein kinase, putative 0.0008 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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) 7.0795 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.3228 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) 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

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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