Detailed information for compound 1427672

Basic information

Technical information
  • TDR Targets ID: 1427672
  • Name: 2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetam ide
  • MW: 262.327 | Formula: C13H14N2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)CC(=O)Nc1nccs1
  • InChi: 1S/C13H14N2O2S/c1-2-17-11-5-3-10(4-6-11)9-12(16)15-13-14-7-8-18-13/h3-8H,2,9H2,1H3,(H,14,15,16)
  • InChiKey: ZHCMQUXVGLVNPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-ethoxyphenyl)-N-thiazol-2-yl-acetamide
  • 2-(4-ethoxyphenyl)-N-(2-thiazolyl)acetamide
  • 2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)ethanamide
  • IVK/0043816
  • ZINC03396361
  • SMR000344574
  • MLS000772347

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi prolyl oligopeptidase family protein 0.0749 0.9066 1
Trypanosoma cruzi oligopeptidase b 0.0324 0.1224 0.135
Trypanosoma cruzi oligopeptidase b 0.0324 0.1224 0.135
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0324 0.1224 0.135
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0749 0.9066 0.9066
Loa Loa (eye worm) hypothetical protein 0.0749 0.9066 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0749 0.9066 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0632 0.6902 1
Echinococcus granulosus prolyl endopeptidase 0.0749 0.9066 0.9066
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0324 0.1224 0.135
Toxoplasma gondii prolyl endopeptidase 0.0749 0.9066 1
Trypanosoma cruzi prolyl endopeptidase 0.0749 0.9066 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0749 0.9066 1
Echinococcus multilocularis prolyl endopeptidase 0.0749 0.9066 0.9066
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.08 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0324 0.1224 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.062 0.6687 0.6687
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.08 1 1
Trypanosoma brucei oligopeptidase b 0.0324 0.1224 0.135
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0749 0.9066 0.9066
Trypanosoma brucei prolyl oligopeptidase, putative 0.0324 0.1224 0.135
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0324 0.1224 0.135
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0324 0.1224 0.135
Brugia malayi prolyl oligopeptidase family protein 0.062 0.6687 0.7376
Trypanosoma brucei prolyl endopeptidase 0.0749 0.9066 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0324 0.1224 0.5
Leishmania major oligopeptidase b 0.0324 0.1224 0.135
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.062 0.6687 0.6687
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.062 0.6687 0.6687

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1458 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 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) 18.526 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.