Detailed information for compound 1335456

Basic information

Technical information
  • TDR Targets ID: 1335456
  • Name: ethyl 5-ethyl-2-[(2-thiophen-3-ylacetyl)amino ]thiophene-3-carboxylate
  • MW: 323.43 | Formula: C15H17NO3S2
  • H donors: 1 H acceptors: 2 LogP: 3.99 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc(sc1NC(=O)Cc1cscc1)CC
  • InChi: 1S/C15H17NO3S2/c1-3-11-8-12(15(18)19-4-2)14(21-11)16-13(17)7-10-5-6-20-9-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)
  • InChiKey: XTZHOEYBKXSCDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 5-ethyl-2-[[2-(3-thienyl)acetyl]amino]thiophene-3-carboxylate
  • 5-ethyl-2-[[1-oxo-2-(3-thienyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
  • 5-ethyl-2-[[2-(3-thienyl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester
  • ethyl 5-ethyl-2-(2-thiophen-3-ylethanoylamino)thiophene-3-carboxylate
  • SMR000062901
  • ZINC03248128
  • MLS000081669

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) intermediate filament protein 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
Echinococcus multilocularis musashi 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
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative 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
Schistosoma japonicum ko:K07611 lamin, putative 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 japonicum Lamin-C, putative 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 Intermediate filament tail domain containing 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
Onchocerca volvulus 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 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
Loa Loa (eye worm) hypothetical 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0375 0.0375
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0375 0.0375
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Echinococcus granulosus lamin dm0 0.0033 0.3537 1
Trypanosoma brucei unspecified product 0.0023 0.137 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.137 0.137
Loa Loa (eye worm) hypothetical protein 0.0019 0.0375 0.0375
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.137 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.3537 0.6116
Onchocerca volvulus 0.0033 0.3537 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3537 0.3537
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.137 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.137 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.137 0.1926
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.137 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.137 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.137 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5545 0.5545
Echinococcus multilocularis musashi 0.0033 0.3537 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.137 0.5
Echinococcus multilocularis dna polymerase kappa 0.0023 0.137 0.3149
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.3537 0.3537
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Echinococcus multilocularis dna polymerase eta 0.0023 0.137 0.3149
Loa Loa (eye worm) intermediate filament protein 0.0033 0.3537 0.3537
Schistosoma mansoni lamin 0.0033 0.3537 0.6116
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.137 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.5545 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.137 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0.137 0.5
Schistosoma mansoni lamin 0.0033 0.3537 0.6116
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.137 0.137
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Echinococcus granulosus lamin 0.0033 0.3537 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.3537 0.3537
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.137 0.137
Echinococcus granulosus intermediate filament protein 0.0033 0.3537 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.3397 0.3397
Leishmania major DNA polymerase kappa, putative 0.0023 0.137 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.137 0.3149
Echinococcus multilocularis lamin 0.0033 0.3537 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.137 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.137 0.1926
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.137 0.5
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Echinococcus granulosus dna polymerase eta 0.0023 0.137 0.3149
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.137 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.3537 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.137 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.137 0.3149
Echinococcus granulosus dna polymerase kappa 0.0023 0.137 0.3149
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.137 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.137 0.5
Onchocerca volvulus 0.0033 0.3537 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.137 0.137
Brugia malayi intermediate filament protein 0.0033 0.3537 0.3537
Loa Loa (eye worm) hypothetical protein 0.0041 0.5545 0.5545
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.137 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.137 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.137 0.5
Schistosoma mansoni DNA polymerase eta 0.0023 0.137 0.1926
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0375 0.0375
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.137 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2944 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) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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 (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) = 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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