Detailed information for compound 230962

Basic information

Technical information
  • TDR Targets ID: 230962
  • Name: 2-bromo-6,8,8,10-tetramethyl-4-(trifluorometh yl)-7,9-dihydro-6H-pyrido[3,2-g]quinoline
  • MW: 387.237 | Formula: C17H18BrF3N2
  • H donors: 1 H acceptors: 1 LogP: 5.79 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cc(c2c(n1)c(C)c1c(c2)C(C)CC(N1)(C)C)C(F)(F)F
  • InChi: 1S/C17H18BrF3N2/c1-8-7-16(3,4)23-15-9(2)14-11(5-10(8)15)12(17(19,20)21)6-13(18)22-14/h5-6,8,23H,7H2,1-4H3
  • InChiKey: KFKPMFXGQORJPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-bromo-6,8,8,10-tetramethyl-4-(trifluoromethyl)-7,9-dihydro-6H-pyrido[5,6-g]quinoline

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0074 0.0668 0.0668
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0068 0.053 0.053
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0068 0.053 0.053
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0074 0.0668 1
Schistosoma mansoni voltage-gated potassium channel 0.0081 0.0824 0.1046
Echinococcus multilocularis glutamate receptor 2 0.0068 0.053 0.053
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0068 0.053 0.053
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0074 0.0668 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0115 0.1617 0.5
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0115 0.1617 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0115 0.1617 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.0556 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0342 0.6844 0.6844
Echinococcus multilocularis glutamate receptor NMDA 0.0319 0.6313 0.6313
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0074 0.0668 0.0668
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0068 0.053 0.053
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0068 0.053 0.053
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0068 0.053 0.053
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.016 0.2652 0.2652
Echinococcus multilocularis nmda type glutamate receptor 0.0479 1 1
Schistosoma mansoni glutamate receptor NMDA 0.0387 0.7878 1
Echinococcus multilocularis nmda type glutamate receptor 0.0342 0.6844 0.6844
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0068 0.053 0.053
Echinococcus granulosus glutamate receptor NMDA 0.0319 0.6313 0.6313
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0068 0.053 0.053
Loa Loa (eye worm) hypothetical protein 0.0064 0.0443 0.6633
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0069 0.0556 0.5
Chlamydia trachomatis glutamine binding protein 0.0115 0.1617 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0115 0.1617 0.5
Echinococcus granulosus glutamate receptor 2 0.0068 0.053 0.053
Schistosoma mansoni voltage-gated potassium channel 0.0081 0.0824 0.1046
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0115 0.1617 0.5

Activities

Activity type Activity value Assay description Source Reference
Efficacy (functional) = 82 % Percent maximal inhibition against human androgen receptor (AR) dependent transcriptional activity in cotransfected mammalian CV-1 cells ChEMBL. 10743937
Efficacy (functional) = 82 % Percent maximal inhibition against human androgen receptor (AR) dependent transcriptional activity in cotransfected mammalian CV-1 cells ChEMBL. 10743937
IC50 (functional) = 785 nM Inhibitory concentration against human androgen receptor (AR) dependent transcriptional activity in cotransfected mammalian CV-1 cells ChEMBL. 10743937
IC50 (functional) = 785 nM Inhibitory concentration against human androgen receptor (AR) dependent transcriptional activity in cotransfected mammalian CV-1 cells ChEMBL. 10743937
Ki (binding) > 1000 nM Binding affinity for human androgen receptor transfected into mammalian COS-1 cells ChEMBL. 10743937
Ki (binding) > 1000 nM Binding affinity for human androgen receptor transfected into mammalian COS-1 cells ChEMBL. 10743937

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

1 literature reference was collected for this gene.

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