Detailed information for compound 183651

Basic information

Technical information
  • TDR Targets ID: 183651
  • Name: ethyl 5,10-dioxo-6-[2-[(2,2,2-trifluoroacetyl )amino]phenyl]pyrido[3,2-g]quinoline-3-carbox ylate
  • MW: 469.37 | Formula: C23H14F3N3O5
  • H donors: 1 H acceptors: 6 LogP: 3.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cnc2c(c1)C(=O)c1c(C2=O)nccc1c1ccccc1NC(=O)C(F)(F)F
  • InChi: 1S/C23H14F3N3O5/c1-2-34-21(32)11-9-14-17(28-10-11)20(31)18-16(19(14)30)13(7-8-27-18)12-5-3-4-6-15(12)29-22(33)23(24,25)26/h3-10H,2H2,1H3,(H,29,33)
  • InChiKey: DXQRWLHHNFKEIY-UHFFFAOYSA-N  

Network

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Synonyms

  • 5,10-dioxo-6-[2-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]-3-pyrido[3,2-g]quinolinecarboxylic acid ethyl ester
  • ethyl 5,10-dioxo-6-[2-(2,2,2-trifluoroethanoylamino)phenyl]pyrido[3,2-g]quinoline-3-carboxylate
  • 5,10-diketo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]pyrido[3,2-g]quinoline-3-carboxylic acid ethyl ester

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
Schistosoma mansoni sphingosine kinase A B 0.1752 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.1752 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.1752 0.5 0.5
Echinococcus multilocularis sphingosine kinase 1 0.1752 0.5 0.5
Schistosoma mansoni sphingoid long chain base kinase 0.1752 0.5 0.5
Mycobacterium tuberculosis Conserved protein 0.1752 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.1752 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.08 uM In vitro inhibition of U-87 MG (human glioblastoma) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.08 uM In vitro inhibition of U-87 MG (human glioblastoma) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.09 uM In vitro inhibition of A549 (human lung cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.09 uM In vitro inhibition of A549 (human lung cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.1 uM In vitro inhibition of HCT-15 (human colon cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.1 uM In vitro inhibition of HCT-15 (human colon cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.4 uM In vitro inhibition of U-373 MG (human gliobastoma) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.4 uM In vitro inhibition of U-373 MG (human gliobastoma) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.5 uM In vitro inhibition of MCF-7 (human breast cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.5 uM In vitro inhibition of MCF-7 (human breast cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.6 uM In vitro inhibition of T24 (human bladder cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.6 uM In vitro inhibition of A-427 (human lung cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.6 uM In vitro inhibition of A-427 (human lung cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.8 uM In vitro inhibition of A172 (human gliobastoma) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.8 uM In vitro inhibition of LoVo (human colon cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 0.8 uM In vitro inhibition of LoVo (human colon cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 1.3 uM In vitro inhibition of PC-3 (human prostate cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 1.3 uM In vitro inhibition of PC-3 (human prostate cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 2.6 uM Ctotoxic related antitumor activity against human cancer cell lines T-47 D ChEMBL. 11563926
IC50 (functional) = 2.6 uM Ctotoxic related antitumor activity against human cancer cell lines T-47 D ChEMBL. 11563926
IC50 (functional) = 5.2 uM In vitro inhibtion of J82 (human bladder cancer) cell growth. ChEMBL. 11563926
IC50 (functional) = 5.2 uM In vitro inhibtion of J82 (human bladder cancer) cell growth. ChEMBL. 11563926

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11563926

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

1 literature reference was collected for this gene.

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