Detailed information for compound 1202421

Basic information

Technical information
  • TDR Targets ID: 1202421
  • Name: N-(2,5-dimethoxyphenyl)-2-(2-oxo-6-piperidin- 1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetami de
  • MW: 487.569 | Formula: C24H29N3O6S
  • H donors: 1 H acceptors: 4 LogP: 2.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CN1C(=O)CCc2c1ccc(c2)S(=O)(=O)N1CCCCC1)OC
  • InChi: 1S/C24H29N3O6S/c1-32-18-7-10-22(33-2)20(15-18)25-23(28)16-27-21-9-8-19(14-17(21)6-11-24(27)29)34(30,31)26-12-4-3-5-13-26/h7-10,14-15H,3-6,11-13,16H2,1-2H3,(H,25,28)
  • InChiKey: KOVOACJKWFDXFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,5-dimethoxyphenyl)-2-[2-oxo-6-(1-piperidylsulfonyl)-3,4-dihydroquinolin-1-yl]acetamide
  • N-(2,5-dimethoxyphenyl)-2-(2-keto-6-piperidinosulfonyl-3,4-dihydroquinolin-1-yl)acetamide
  • N-(2,5-dimethoxyphenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)ethanamide
  • G406-0489
  • NCGC00130825-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0094 1 0.5
Echinococcus multilocularis lysosomal protective protein 0.0094 1 1
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.0094 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0094 1 0.5
Echinococcus granulosus lysosomal protective protein 0.0094 1 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.0094 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.3214 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.3214 0.3214
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0094 1 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.3214 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.3214 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0094 1 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.3214 0.3214
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.0094 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.3214 0.3214
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0094 1 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.3214 0.3214
Brugia malayi hypothetical protein 0.0037 0.3214 0.3214
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0094 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.3214 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0094 1 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0094 1 0.5
Echinococcus granulosus family S10 non peptidase ue S10 family 0.0085 0.8887 0.8887
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.0085 0.8887 0.8887

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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