Detailed information for compound 1273186

Basic information

Technical information
  • TDR Targets ID: 1273186
  • Name: (E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl) prop-2-enamide
  • MW: 314.336 | Formula: C17H18N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.03 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)Nc2ccncc2)cc(c1OC)OC
  • InChi: 1S/C17H18N2O4/c1-21-14-10-12(11-15(22-2)17(14)23-3)4-5-16(20)19-13-6-8-18-9-7-13/h4-11H,1-3H3,(H,18,19,20)/b5-4+
  • InChiKey: RTYQGUHNLADZJF-SNAWJCMRSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • N-(4-pyridyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • (E)-N-(4-pyridyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
  • (E)-N-(4-pyridyl)-3-(3,4,5-trimethoxyphenyl)acrylamide
  • N-(4-pyridyl)-3-(3,4,5-trimethoxyphenyl)acrylamide
  • N-4-pyridinyl-3-(3,4,5-trimethoxyphenyl)acrylamide
  • SMR000270512
  • STK011322
  • ZINC00318106
  • MLS000663908

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837

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
Onchocerca volvulus 0.0096 0.1644 0.4167
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0274 0.9502 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0274 0.9502 1
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0179 0.5295 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) 0.0179 0.5295 1
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0179 0.5295 1
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Brugia malayi hypothetical protein 0.0148 0.3946 0.3946
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0274 0.9502 0.5
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0274 0.9502 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0096 0.1644 0.1572
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0274 0.9502 0.9502
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0274 0.9502 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0096 0.1644 0.1644
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0274 0.9502 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 0.1644 0.1572
Loa Loa (eye worm) hypothetical protein 0.0148 0.3946 0.3894
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0274 0.9502 0.5
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0274 0.9502 0.9497
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0274 0.9502 0.5
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0274 0.9502 0.5
Loa Loa (eye worm) hypothetical protein 0.0148 0.3946 0.3894
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0274 0.9502 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0096 0.1644 0.4167
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) 0.0179 0.5295 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.3946 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0086 0.0086
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0096 0.1644 0.1644
Onchocerca volvulus Huntingtin homolog 0.0148 0.3946 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0274 0.9502 0.5
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0274 0.9502 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 20.5962 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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 (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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