Detailed information for compound 1374676

Basic information

Technical information
  • TDR Targets ID: 1374676
  • Name: N-[2-methoxy-5-(3-phenylpropanoylamino)phenyl ]furan-2-carboxamide
  • MW: 364.395 | Formula: C21H20N2O4
  • H donors: 2 H acceptors: 2 LogP: 3.19 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)c1ccco1)NC(=O)CCc1ccccc1
  • InChi: 1S/C21H20N2O4/c1-26-18-11-10-16(14-17(18)23-21(25)19-8-5-13-27-19)22-20(24)12-9-15-6-3-2-4-7-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,22,24)(H,23,25)
  • InChiKey: MZHXZPFIEKZDCV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-methoxy-5-[(1-oxo-3-phenylpropyl)amino]phenyl]-2-furancarboxamide
  • N-[2-methoxy-5-(3-phenylpropanoylamino)phenyl]-2-furamide
  • MLS000049830
  • N-{2-methoxy-5-[(3-phenylpropanoyl)amino]phenyl}-2-furamide
  • SMR000077968
  • AN-979/41971645
  • ZINC01010690
  • STK266532

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Brugia malayi tailless protein 0.0048 0.4489 0.4104
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Onchocerca volvulus Protein ultraspiracle homolog 0.0102 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0054 0.5079 0.5041
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.045 0.0376
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0048 0.4489 0.4229
Brugia malayi Nuclear hormone receptor E75 0.0048 0.4489 0.4104
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0102 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0054 0.5079 0.4847
Echinococcus granulosus Nuclear hormone receptor HR96 0.0048 0.4489 0.4229
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0102 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Schistosoma mansoni cpg binding protein 0.0037 0.3321 0.3269
Brugia malayi Nuclear hormone receptor E75 0.0048 0.4489 0.4104
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0102 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0102 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0667 0.0227
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0102 1 1
Brugia malayi hypothetical protein 0.0054 0.5079 0.4736
Loa Loa (eye worm) hypothetical protein 0.0054 0.5079 0.4728
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Schistosoma mansoni retinoic acid receptor RXR 0.0102 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0102 1 1
Brugia malayi hypothetical protein 0.0048 0.4489 0.4104
Loa Loa (eye worm) hypothetical protein 0.0054 0.5079 0.4728
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.6294 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0102 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0102 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0102 1 1
Echinococcus granulosus cpg binding protein 0.0037 0.3321 0.3006
Echinococcus granulosus ecdysone induced protein 78C 0.0102 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.3118 0.2638
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0102 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0048 0.4489 0.4104
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0048 0.4489 0.4095
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0373 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0102 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Brugia malayi Nuclear hormone receptor-like 1 0.0102 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0102 1 1
Brugia malayi nuclear hormone receptor 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.5079 0.4728
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0373 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0054 0.5079 0.5041
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Schistosoma mansoni RAR-like nuclear receptor 0.0102 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0048 0.4489 0.1992
Echinococcus granulosus FTZ F1 alpha 0.0102 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0373 1
Echinococcus multilocularis cpg binding protein 0.0037 0.3321 0.3006
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0102 1 1
Schistosoma mansoni nuclear receptor 0.0048 0.4489 0.4446
Onchocerca volvulus 0.0102 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0048 0.4489 0.4229
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Brugia malayi conserved hypotetical protein 0.0048 0.4489 0.4104
Schistosoma mansoni thyroid hormone receptor 0.0102 1 1
Schistosoma mansoni zinc finger protein 0.0048 0.4489 0.4446
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.7098 0.7076
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0102 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0102 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Loa Loa (eye worm) steroid hormone receptor 0.0102 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0048 0.4489 0.4229
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0054 0.5079 0.4847
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0373 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0048 0.4489 0.4229
Brugia malayi nuclear hormone receptor 0.0048 0.4489 0.4104
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Brugia malayi nuclear receptor RXR 0.0048 0.4489 0.4104
Onchocerca volvulus 0.0048 0.4489 0.1992
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0102 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0048 0.4489 0.4446
Brugia malayi steroid hormone receptor 0.0102 1 1
Brugia malayi hypothetical protein 0.0048 0.4489 0.4104
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0102 1 1
Schistosoma mansoni nuclear hormone receptor 0.0048 0.4489 0.4446
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0102 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0048 0.4489 0.4446
Schistosoma mansoni nuclear hormone receptor 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.5079 0.4728
Brugia malayi photoreceptor-specific nuclear receptor 0.0102 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0048 0.4489 0.4229
Loa Loa (eye worm) hypothetical protein 0.0054 0.5079 0.4728
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0373 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0102 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0102 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Onchocerca volvulus 0.0048 0.4489 0.1992
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0102 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0373 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0667 0.0227
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0048 0.4489 0.4104
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0102 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0054 0.5079 0.4728
Trichomonas vaginalis helicase, putative 0.0008 0.0373 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0102 1 1
Schistosoma mansoni nuclear hormone receptor 0.0048 0.4489 0.4446
Brugia malayi nuclear receptor RXR 0.0054 0.5079 0.4736
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.5079 0.4736
Brugia malayi nuclear hormone receptor family member odr-7 0.0048 0.4489 0.4104
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0373 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0102 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0102 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0048 0.4489 0.4229
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0102 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0102 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0102 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0102 1 1
Schistosoma mansoni cpg binding protein 0.0035 0.3118 0.3065
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0102 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.3118 0.2627
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Schistosoma mansoni thyroid hormone receptor 0.0102 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0048 0.4489 0.4095
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.5079 0.4736
Schistosoma mansoni cpg binding protein 0.0037 0.3321 0.3269
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0102 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0048 0.4489 0.4229
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Loa Loa (eye worm) DR-78 0.0048 0.4489 0.4095
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0373 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0102 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0048 0.4489 0.4104
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Echinococcus granulosus thyroid hormone receptor alpha 0.0048 0.4489 0.4229
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0102 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0048 0.4489 0.4095
Schistosoma mansoni nuclear receptor 0.0048 0.4489 0.4446
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0048 0.4489 0.4446
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0102 1 1
Brugia malayi nuclear receptor NHR-88 0.0102 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.4489 0.4095
Brugia malayi nuclear receptor NHR-88 0.0048 0.4489 0.4104
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.4489 0.4229
Brugia malayi ecdysone receptor 0.0048 0.4489 0.4104
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0102 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0373 1
Brugia malayi hypothetical protein 0.0054 0.5079 0.4736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0102 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.4489 0.4229
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0102 1 1
Schistosoma mansoni coup transcription factor 0.0102 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0048 0.4489 0.1992
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0102 1 1
Brugia malayi nuclear receptor NHR-67 0.0048 0.4489 0.4104
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0102 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0048 0.4489 0.4229

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) 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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