Detailed information for compound 1273223

Basic information

Technical information
  • TDR Targets ID: 1273223
  • Name: N-[2,5-diethoxy-4-[3-(2-methoxyphenyl)propano ylamino]phenyl]furan-2-carboxamide
  • MW: 452.5 | Formula: C25H28N2O6
  • H donors: 2 H acceptors: 2 LogP: 3.87 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(NC(=O)c2ccco2)c(cc1NC(=O)CCc1ccccc1OC)OCC
  • InChi: 1S/C25H28N2O6/c1-4-31-22-16-19(27-25(29)21-11-8-14-33-21)23(32-5-2)15-18(22)26-24(28)13-12-17-9-6-7-10-20(17)30-3/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,26,28)(H,27,29)
  • InChiKey: LCHQGEVAFPNENC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2,5-diethoxy-4-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]phenyl]-2-furancarboxamide
  • N-[2,5-diethoxy-4-[3-(2-methoxyphenyl)propanoylamino]phenyl]-2-furamide
  • Furan-2-carboxylic acid {2,5-diethoxy-4-[3-(2-methoxy-phenyl)-propionylamino]-phenyl}-amide
  • Oprea1_311505
  • SMR000004713
  • ASN 05448334
  • MLS000031288

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0966 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1263 0.1868
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1263 0.1868
Entamoeba histolytica hypothetical protein 0.0035 0.2671 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0671 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.1263 0.3904
Loa Loa (eye worm) hypothetical protein 0.0041 0.3235 0.2939
Echinococcus granulosus bloom syndrome protein 0.0023 0.1637 0.5407
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.1637 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1263 0.0881
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1263 0.3747
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.042 0.4422
Echinococcus granulosus GPCR family 2 0.0019 0.1263 0.3747
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0671 0.5
Loa Loa (eye worm) RecQ helicase 0.0023 0.1637 0.1271
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0949 1
Schistosoma mansoni DNA helicase recq1 0.001 0.042 0.1297
Brugia malayi hypothetical protein 0.0035 0.2671 0.4986
Schistosoma mansoni hypothetical protein 0.0019 0.1263 0.3904
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.2671 1
Loa Loa (eye worm) hypothetical protein 0.006 0.4935 0.4713
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.1201 0.3711
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.4935 0.4713
Entamoeba histolytica hypothetical protein 0.0035 0.2671 1
Schistosoma mansoni hypothetical protein 0.0019 0.1263 0.3904
Echinococcus multilocularis bloom syndrome protein 0.0023 0.1637 0.5407
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0671 0.2514
Loa Loa (eye worm) hypothetical protein 0.0019 0.1263 0.0881
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.1385 1
Schistosoma mansoni hypothetical protein 0.0035 0.2671 0.8255
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1263 0.3747
Echinococcus multilocularis GPCR, family 2 0.0019 0.1263 0.3747
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0671 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.3235 1
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.1637 0.2696
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.4935 1
Entamoeba histolytica hypothetical protein 0.0035 0.2671 1
Schistosoma mansoni hypothetical protein 0.0019 0.1263 0.3904
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.4935 1
Schistosoma mansoni DNA helicase recq5 0.001 0.042 0.1297
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.2671 0.8255
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3235 0.6236
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.042 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1263 0.3747
Entamoeba histolytica hypothetical protein 0.0035 0.2671 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.042 0.4422
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.2671 1
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.1637 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1263 0.3747

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 14.7157 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 29.0929 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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

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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