Detailed information for compound 1401736

Basic information

Technical information
  • TDR Targets ID: 1401736
  • Name: 4-ethyl-N-(3-phenylpropyl)thieno[2,3-d]pyrrol e-5-carboxamide
  • MW: 312.429 | Formula: C18H20N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(cc2c1ccs2)C(=O)NCCCc1ccccc1
  • InChi: 1S/C18H20N2OS/c1-2-20-15-10-12-22-17(15)13-16(20)18(21)19-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,2,6,9,11H2,1H3,(H,19,21)
  • InChiKey: UFPQKHOQHRSMQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-ethyl-N-(3-phenylpropyl)-5-thieno[2,3-d]pyrrolecarboxamide
  • 4-ethyl-N-(3-phenylpropyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
  • MLS000093131
  • SMR000028760

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
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
Echinococcus multilocularis vesicular acetylcholine transporter 0.1923 0.5982 1
Echinococcus granulosus lamin dm0 0.0033 0.0047 0.0071
Entamoeba histolytica hypothetical protein 0.0043 0.0082 0.5
Echinococcus multilocularis musashi 0.0033 0.0047 0.0071
Schistosoma mansoni intermediate filament proteins 0.0033 0.0047 0.0071
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2561 0.4277
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0005 0.0005
Entamoeba histolytica hypothetical protein 0.0043 0.0082 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0082 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2561 0.4277
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.002 0.0025
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0082 0.0128
Loa Loa (eye worm) hypothetical protein 0.0032 0.0046 0.0046
Brugia malayi Doublecortin family protein 0.0024 0.002 0.002
Brugia malayi hypothetical protein 0.0024 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0033 0.0047 0.0047
Echinococcus granulosus lamin 0.0033 0.0047 0.0071
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0074 0.0074
Schistosoma mansoni lipoxygenase 0.0024 0.002 0.0025
Schistosoma mansoni lamin 0.0033 0.0047 0.0071
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0155 0.025
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.002 0.0025
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.002 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0047 0.0047
Echinococcus granulosus intermediate filament protein 0.0033 0.0047 0.0071
Loa Loa (eye worm) hypothetical protein 0.1637 0.5084 0.5084
Echinococcus granulosus RUN 0.0024 0.002 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0119 0.019
Schistosoma mansoni hypothetical protein 0.0041 0.0074 0.0116
Brugia malayi hypothetical protein 0.0024 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0024 0.002 0.0025
Onchocerca volvulus 0.0033 0.0047 0.0046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0119 0.019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0119 0.019
Schistosoma mansoni lamin 0.0033 0.0047 0.0071
Schistosoma mansoni rab6-interacting 0.0024 0.002 0.0025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0119 0.019
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0119 0.0119
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0134 0.0134
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.002 0.5
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1923 0.5982 0.5982
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1923 0.5982 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.002 0.0025
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.002 0.0025
Brugia malayi hypothetical protein 0.0043 0.0082 0.0082
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0134 0.0134
Brugia malayi intermediate filament protein 0.0033 0.0047 0.0047
Onchocerca volvulus 0.0033 0.0047 0.0046
Schistosoma mansoni lipoxygenase 0.0067 0.0155 0.025
Schistosoma mansoni hypothetical protein 0.0043 0.0082 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0119 0.019
Echinococcus multilocularis RUN 0.0024 0.002 0.0025
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0047 0.0047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0119 0.0119
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0155 0.025
Echinococcus multilocularis lamin 0.0033 0.0047 0.0071
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0134 0.0134
Echinococcus multilocularis lamin dm0 0.0033 0.0047 0.0071
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.002 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0119 0.019
Schistosoma mansoni rab6-interacting 0.0024 0.002 0.0025
Schistosoma mansoni polycystin 1-related 0.0024 0.002 0.0025
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0005 0.0005
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0082 0.0128
Loa Loa (eye worm) hypothetical protein 0.0024 0.002 0.002
Entamoeba histolytica hypothetical protein 0.0043 0.0082 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0119 0.019
Echinococcus granulosus vesicular acetylcholine transporter 0.1923 0.5982 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0005 0.0005
Loa Loa (eye worm) doublecortin family protein 0.0024 0.002 0.002
Schistosoma mansoni vesicular acetylcholine transporter 0.1923 0.5982 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.002 0.0025
Loa Loa (eye worm) hypothetical protein 0.0041 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0024 0.002 0.002
Schistosoma mansoni loxhd1 0.0024 0.002 0.0025
Brugia malayi vesicular acetylcholine transporter unc-17 0.1923 0.5982 0.5982
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.006 0.0134 0.0134
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2561 0.4277
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0082 0.0128

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) 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
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

Species name Source Reference Is orphan
Saccharomyces cerevisiae 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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