Detailed information for compound 1322501

Basic information

Technical information
  • TDR Targets ID: 1322501
  • Name: N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl) acetamide
  • MW: 343.417 | Formula: C20H25NO4
  • H donors: 1 H acceptors: 1 LogP: 3.36 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CC(=O)NCCCc2ccccc2)cc(c1OC)OC
  • InChi: 1S/C20H25NO4/c1-23-17-12-16(13-18(24-2)20(17)25-3)14-19(22)21-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22)
  • InChiKey: SFAYKMYCVQGGML-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)ethanamide
  • ZINC03534451
  • T5334809

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi Cation transporter family protein 0.0087 0.2137 0.2137
Onchocerca volvulus 0.0087 0.2137 0.2137
Echinococcus granulosus aldehyde reductase 0.0185 0.6573 0.6573
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0087 0.2137 0.2137
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0087 0.2137 0.2137
Echinococcus multilocularis aldo keto reductase 0.0261 1 1
Leishmania major prostaglandin f synthase, putative 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0087 0.2137 0.2137
Plasmodium vivax aldehyde reductase, putative 0.0075 0.1597 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0307 0.0307
Echinococcus granulosus glycine receptor subunit beta 0.0087 0.2137 0.2137
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0087 0.2137 0.2137
Echinococcus granulosus hypothetical protein 0.0261 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0075 0.1597 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0087 0.2137 0.2137
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0087 0.2137 0.2137
Entamoeba histolytica alcohol dehydrogenase, putative 0.0075 0.1597 0.133
Loa Loa (eye worm) oxidoreductase 0.0261 1 1
Loa Loa (eye worm) oxidoreductase 0.0261 1 1
Brugia malayi NADH-dependent xylose reductase 0.0075 0.1597 0.1597
Echinococcus granulosus glycine receptor subunit alpha 1 0.0087 0.2137 0.2137
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Onchocerca volvulus 0.0261 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0185 0.6573 0.5922
Onchocerca volvulus 0.0229 0.8571 0.8571
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0261 1 1
Onchocerca volvulus 0.0229 0.8571 0.8571
Loa Loa (eye worm) hypothetical protein 0.0047 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Brugia malayi Cation transporter family protein 0.0229 0.8571 0.8571
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Schistosoma mansoni nAChR subunit 0.0087 0.2137 0.2137
Trichomonas vaginalis aldo/keto reductase, putative 0.0261 1 1
Loa Loa (eye worm) ACC-1 protein 0.0087 0.2137 0.2137
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0087 0.2137 0.2137
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0229 0.8571 0.8571
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0087 0.2137 0.2137
Loa Loa (eye worm) oxidoreductase 0.0261 1 1
Echinococcus multilocularis aldo keto reductase 0.0261 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0261 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0261 1 1
Echinococcus multilocularis aldo keto reductase 0.0261 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0087 0.2137 0.2137
Onchocerca volvulus 0.0075 0.1597 0.1597
Loa Loa (eye worm) hypothetical protein 0.0047 0.0307 0.0307
Schistosoma mansoni pol-related 0.0261 1 1
Echinococcus multilocularis aldehyde reductase 0.0185 0.6573 0.6573
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0261 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Giardia lamblia Aldose reductase 0.0261 1 0.5
Onchocerca volvulus 0.0229 0.8571 0.8571
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Echinococcus granulosus glycine receptor subunit alpha 1 0.0087 0.2137 0.2137
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0229 0.8571 0.8571
Loa Loa (eye worm) hypothetical protein 0.0047 0.0307 0.0307
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0229 0.8571 0.8571
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0047 0.0307 0.0307
Echinococcus granulosus aldo keto reductase 0.0261 1 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0087 0.2137 0.2137
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0087 0.2137 0.2137
Onchocerca volvulus 0.0261 1 1
Onchocerca volvulus Putative nachr subunit 0.0229 0.8571 0.8571
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0087 0.2137 0.2137
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0087 0.2137 0.2137
Loa Loa (eye worm) hypothetical protein 0.0229 0.8571 0.8571
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0087 0.2137 0.2137
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0087 0.2137 0.2137
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0229 0.8571 0.8571
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Schistosoma mansoni aldo-keto reductase 0.0261 1 1
Onchocerca volvulus 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0087 0.2137 0.2137
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Echinococcus multilocularis aldo keto reductase 0.0261 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0047 0.0307 0.0307
Onchocerca volvulus 0.0047 0.0307 0.0307
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0261 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0087 0.2137 0.2137
Mycobacterium ulcerans oxidoreductase 0.0261 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0087 0.2137 0.2137
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0087 0.2137 0.2137
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0229 0.8571 0.8571
Entamoeba histolytica aldose reductase, putative 0.0261 1 1
Schistosoma mansoni nAChR subunit 0.0087 0.2137 0.2137
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0087 0.2137 0.2137
Loa Loa (eye worm) GABA receptor subunit 0.0047 0.0307 0.0307
Trichomonas vaginalis aldo/keto reductase, putative 0.0261 1 1
Leishmania major aldo-keto reductase-like protein 0.0261 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0229 0.8571 0.8571
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0075 0.1597 0.1597
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0229 0.8571 0.8571
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0087 0.2137 0.2137
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0261 1 1
Schistosoma mansoni nAChR subunit 0.0087 0.2137 0.2137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Echinococcus granulosus aldo keto reductase 0.0261 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0087 0.2137 0.2137
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.6742 0.6742
Onchocerca volvulus 0.0087 0.2137 0.2137
Onchocerca volvulus 0.0261 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0087 0.2137 0.2137
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0087 0.2137 0.2137
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0087 0.2137 0.2137
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0075 0.1597 0.1597
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0047 0.0307 0.0307
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0047 0.0307 0.0307
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0087 0.2137 0.2137
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0087 0.2137 0.2137
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0075 0.1597 0.1597
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Toxoplasma gondii aldose reductase, putative 0.0261 1 1
Onchocerca volvulus 0.0087 0.2137 0.2137
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0087 0.2137 0.2137
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0307 0.0307
Loa Loa (eye worm) LGC-31 protein 0.0087 0.2137 0.2137
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0087 0.2137 0.2137
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Loa Loa (eye worm) oxidoreductase 0.0261 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0087 0.2137 0.2137
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0087 0.2137 0.2137
Echinococcus granulosus glycine receptor subunit beta 0.0087 0.2137 0.2137
Plasmodium falciparum aldehyde reductase, putative 0.0075 0.1597 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0075 0.1597 0.1597
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0087 0.2137 0.2137
Trypanosoma cruzi aldo-keto reductase 0.0261 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0087 0.2137 0.2137
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0307 0.0307
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Onchocerca volvulus 0.0261 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0075 0.1597 0.133
Onchocerca volvulus 0.0047 0.0307 0.0307
Brugia malayi excitatory GABA receptor EXP-1A 0.0087 0.2137 0.2137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Schistosoma mansoni potassium channel beta 0.0075 0.1597 0.1597
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0087 0.2137 0.2137
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0307 0.0307
Echinococcus granulosus voltage gated potassium channel subunit 0.0075 0.1597 0.1597
Loa Loa (eye worm) hypothetical protein 0.0047 0.0307 0.0307
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0087 0.2137 0.2137
Schistosoma mansoni neurotransmitter gated ion channel 0.0047 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0229 0.8571 0.8571
Schistosoma mansoni nAChR subunit 0.0087 0.2137 0.2137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Schistosoma mansoni nAChR subunit 0.0087 0.2137 0.2137
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0087 0.2137 0.2137
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0229 0.8571 0.8571
Loa Loa (eye worm) oxidoreductase 0.0261 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0261 1 1
Entamoeba histolytica aldose reductase, putative 0.0261 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0261 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0229 0.8571 0.8571
Schistosoma mansoni nAChR subunit 0.0087 0.2137 0.2137
Entamoeba histolytica aldose reductase, putative 0.0261 1 1
Echinococcus granulosus nAChR subunit 0.0087 0.2137 0.2137
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0087 0.2137 0.2137
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0229 0.8571 0.8571
Onchocerca volvulus 0.0261 1 1
Echinococcus granulosus nAChR subunit 0.0047 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Trypanosoma brucei prostaglandin f synthase 0.0261 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0261 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Echinococcus multilocularis nAChR subunit 0.0087 0.2137 0.2137
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0261 1 1
Echinococcus granulosus aldo keto reductase 0.0261 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0261 1 1
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0047 0.0307 0.0307
Plasmodium falciparum aldo-keto reductase, putative 0.0075 0.1597 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0087 0.2137 0.2137
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0229 0.8571 0.8571
Trypanosoma brucei aldo-keto reductase, putative 0.0261 1 1
Echinococcus multilocularis nAChR subunit 0.0047 0.0307 0.0307
Brugia malayi Cation transporter family protein 0.0087 0.2137 0.2137
Schistosoma mansoni aldo-keto reductase 0.0261 1 1
Schistosoma mansoni nAChR subunit 0.0087 0.2137 0.2137
Giardia lamblia Aldose reductase 0.0261 1 0.5
Loa Loa (eye worm) ACC-1 protein 0.0087 0.2137 0.2137
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0087 0.2137 0.2137
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0047 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0087 0.2137 0.2137

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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