Detailed information for compound 1484841

Basic information

Technical information
  • TDR Targets ID: 1484841
  • Name: 3-bromo-5-methoxy-N-(2-morpholin-4-yl-2-thiop hen-2-ylethyl)-4-(phenylmethoxy)benzamide
  • MW: 531.462 | Formula: C25H27BrN2O4S
  • H donors: 1 H acceptors: 1 LogP: 4.24 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(cc(c1OCc1ccccc1)Br)C(=O)NCC(c1cccs1)N1CCOCC1
  • InChi: 1S/C25H27BrN2O4S/c1-30-22-15-19(14-20(26)24(22)32-17-18-6-3-2-4-7-18)25(29)27-16-21(23-8-5-13-33-23)28-9-11-31-12-10-28/h2-8,13-15,21H,9-12,16-17H2,1H3,(H,27,29)
  • InChiKey: GWLAUGWIGDBGQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-bromo-5-methoxy-N-[2-morpholino-2-(2-thienyl)ethyl]-4-(phenylmethoxy)benzamide
  • 4-(benzyloxy)-3-bromo-5-methoxy-N-[2-morpholino-2-(2-thienyl)ethyl]benzamide
  • 3-bromo-5-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-4-(phenylmethoxy)benzamide
  • T5265954

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
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
Brugia malayi hypothetical protein 0.0043 0.5929 0.5929
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Brugia malayi Flap endonuclease-1 0.0031 0.3013 0.3013
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Plasmodium falciparum flap endonuclease 1 0.0031 0.3013 0.5
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.3013 0.5
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.3013 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5929 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.3013 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5929 1
Echinococcus granulosus flap endonuclease 1 0.0031 0.3013 0.5082
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.3013 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.5371 0.5371
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.3013 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5929 1
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.3013 0.3013
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5371 0.5371
Entamoeba histolytica hypothetical protein 0.0043 0.5929 1
Schistosoma mansoni flap endonuclease-1 0.0028 0.2279 0.3844
Schistosoma mansoni hypothetical protein 0.0041 0.5371 0.906
Schistosoma mansoni hypothetical protein 0.0043 0.5929 1
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.3013 0.5
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.3013 0.5
Echinococcus multilocularis flap endonuclease 1 0.0031 0.3013 0.5082
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.5929 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5929 1
Entamoeba histolytica hypothetical protein 0.0043 0.5929 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.1735 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) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 100 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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