Detailed information for compound 1473584

Basic information

Technical information
  • TDR Targets ID: 1473584
  • Name: 2-ethyl-N-[2-[(8-methyl-4-oxo-1H-quinolin-2-y l)methylsulfanyl]phenyl]butanamide
  • MW: 394.53 | Formula: C23H26N2O2S
  • H donors: 2 H acceptors: 2 LogP: 4.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)Nc1ccccc1SCc1cc(=O)c2c([nH]1)c(C)ccc2)CC
  • InChi: 1S/C23H26N2O2S/c1-4-16(5-2)23(27)25-19-11-6-7-12-21(19)28-14-17-13-20(26)18-10-8-9-15(3)22(18)24-17/h6-13,16H,4-5,14H2,1-3H3,(H,24,26)(H,25,27)
  • InChiKey: XZPLGHYJULHMIO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-ethyl-N-[2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylthio]phenyl]butanamide
  • 2-ethyl-N-[2-[(4-keto-8-methyl-1H-quinolin-2-yl)methylthio]phenyl]butyramide
  • G751-2704
  • NCGC00133884-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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) intermediate filament 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Echinococcus multilocularis lamin 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
Brugia malayi intermediate filament 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
Echinococcus granulosus 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
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
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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus multilocularis lamin dm0 0.0033 0.0281 0.0281
Toxoplasma gondii ion channel protein 0.0018 0 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.0281 0.0281
Echinococcus multilocularis musashi 0.0033 0.0281 0.0281
Echinococcus multilocularis lamin 0.0033 0.0281 0.0281
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0018 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0018 0 0.5
Trypanosoma cruzi ion transport protein, putative 0.0018 0 0.5
Mycobacterium ulcerans transmembrane cation transporter 0.0018 0 0.5
Brugia malayi intermediate filament protein 0.0033 0.0281 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.027 0.027
Leishmania major hypothetical protein, conserved 0.0018 0 0.5
Echinococcus granulosus lamin 0.0033 0.0281 0.0281
Echinococcus granulosus lamin dm0 0.0033 0.0281 0.0281
Plasmodium falciparum potassium channel 0.0018 0 0.5
Plasmodium falciparum potassium channel 0.0018 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0 0.5
Leishmania major hypothetical protein, conserved 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0165 0.2814 0.2814
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0018 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0 0.5
Leishmania major calcium/potassium channel (CAKC), putative 0.0018 0 0.5
Schistosoma mansoni lamin 0.0033 0.0281 0.0281
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0 0.5
Leishmania major potassium channel subunit-like protein 0.0018 0 0.5
Giardia lamblia Hypothetical protein 0.0018 0 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0018 0 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0281 1
Onchocerca volvulus 0.0033 0.0281 1
Plasmodium vivax potassium channel, putative 0.0018 0 0.5
Mycobacterium ulcerans ion transport protein 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.054 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0 0.5
Echinococcus multilocularis small conductance calcium activated potassium 0.054 1 1
Schistosoma mansoni calcium-activated potassium channel 0.0349 0.6331 0.6331
Onchocerca volvulus 0.0033 0.0281 1
Toxoplasma gondii ion channel protein 0.0018 0 0.5
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0184 0.3175 0.3175
Schistosoma mansoni calcium-activated potassium channel 0.054 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0174 0.2985 0.2985
Trypanosoma brucei calcium-activated potassium channel, putative 0.0018 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0 0.5
Plasmodium vivax potassium channel, putative 0.0018 0 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0281 0.0281
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0018 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0 0.5
Leishmania major ion transport protein-like protein 0.0018 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.0281 0.0281
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0018 0 0.5
Schistosoma mansoni hypothetical protein 0.054 1 1
Trypanosoma cruzi ion transport protein, putative 0.0018 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0281 0.0281
Schistosoma mansoni lamin 0.0033 0.0281 0.0281

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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.

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