Detailed information for compound 1197412

Basic information

Technical information
  • TDR Targets ID: 1197412
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-4-ox othieno[4,5-c]quinoline-2-carboxamide
  • MW: 436.523 | Formula: C24H24N2O4S
  • H donors: 1 H acceptors: 2 LogP: 4.24 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)c2cc3c(s2)c2ccccc2n(c3=O)CC)ccc1OC
  • InChi: 1S/C24H24N2O4S/c1-4-26-18-8-6-5-7-16(18)22-17(24(26)28)14-21(31-22)23(27)25-12-11-15-9-10-19(29-2)20(13-15)30-3/h5-10,13-14H,4,11-12H2,1-3H3,(H,25,27)
  • InChiKey: PLDXWUNLBPMCAB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-4-oxo-thieno[4,5-c]quinoline-2-carboxamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-4-oxo-2-thieno[4,5-c]quinolinecarboxamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-4-keto-thieno[4,5-c]quinoline-2-carboxamide
  • C593-0763
  • NCGC00110661-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0122 0.1117 0.3271
Trypanosoma brucei prolyl endopeptidase 0.0306 0.3415 1
Plasmodium falciparum peptidase, putative 0.0032 0 0.5
Schistosoma mansoni glutaminase 0.0268 0.2945 0.2945
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0122 0.1117 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0306 0.3415 1
Leishmania major oligopeptidase b 0.0122 0.1117 0.3271
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0122 0.1117 0.3271
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0274 0.3015 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0032 0 0.5
Trypanosoma cruzi prolyl endopeptidase 0.0306 0.3415 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0122 0.1117 0.3271
Brugia malayi glutaminase DH11.1 0.0268 0.2945 0.8623
Trichomonas vaginalis glutaminase, putative 0.0268 0.2945 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0032 0 0.5
Trypanosoma cruzi oligopeptidase b 0.0122 0.1117 0.3271
Entamoeba histolytica prolyl oligopeptidase family protein 0.0032 0 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0122 0.1117 0.3271
Trypanosoma cruzi oligopeptidase b 0.0122 0.1117 0.3271
Plasmodium vivax hypothetical protein, conserved 0.0032 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0032 0 0.5
Echinococcus multilocularis prolyl endopeptidase 0.0306 0.3415 0.3415
Brugia malayi MH2 domain containing protein 0.0144 0.1399 0.4097
Entamoeba histolytica hypothetical protein, conserved 0.0032 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1399 0.4097
Trypanosoma brucei oligopeptidase b 0.0122 0.1117 0.3271
Toxoplasma gondii prolyl endopeptidase 0.0306 0.3415 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0032 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1399 0.4097
Loa Loa (eye worm) hypothetical protein 0.0306 0.3415 1
Loa Loa (eye worm) glutaminase 2 0.0268 0.2945 0.8623
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0032 0 0.5
Onchocerca volvulus Prolyl endopeptidase homolog 0.0306 0.3415 1
Mycobacterium ulcerans glutaminase 0.0268 0.2945 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0306 0.3415 1
Loa Loa (eye worm) glutaminase 0.0268 0.2945 0.8623
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0122 0.1117 0.3271
Entamoeba histolytica prolyl oligopeptidase family protein 0.0032 0 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus granulosus prolyl endopeptidase 0.0306 0.3415 0.3415
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0306 0.3415 0.3415
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0306 0.3415 0.3415

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.

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