Detailed information for compound 200033

Basic information

Technical information
  • TDR Targets ID: 200033
  • Name: 9-fluoro-5-methoxy-2,2,4-trimethyl-1,5-dihydr ochromeno[3,4-f]quinoline
  • MW: 325.377 | Formula: C20H20FNO2
  • H donors: 1 H acceptors: 0 LogP: 4.03 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1Oc2ccc(cc2c2c1c1C(=CC(Nc1cc2)(C)C)C)F
  • InChi: 1S/C20H20FNO2/c1-11-10-20(2,3)22-15-7-6-13-14-9-12(21)5-8-16(14)24-19(23-4)18(13)17(11)15/h5-10,19,22H,1-4H3
  • InChiKey: OJNSFFIREDVKLU-UHFFFAOYSA-N  

Network

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Synonyms

  • 9-fluoro-5-methoxy-2,2,4-trimethyl-1,5-dihydro[1]benzopyrano[3,4-f]quinoline

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens progesterone 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 FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Trichomonas vaginalis conserved hypothetical protein 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.722 0.722
Schistosoma mansoni hypothetical protein 0.0092 0.722 1
Echinococcus granulosus amiloride sensitive sodium channel 0.0092 0.722 1
Echinococcus granulosus Na channel amiloride sensitive 0.0092 0.722 1
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.0092 0.722 0.722
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Brugia malayi Degenerin mec-4 0.0092 0.722 0.722
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Echinococcus granulosus amiloride sensitive cation channel 0.0092 0.722 1
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.0092 0.722 1
Brugia malayi Degenerin-like protein ZK770.1 in chromosome I, putative 0.0092 0.722 0.722
Echinococcus granulosus amiloride sensitive cation channel 4 A 0.0092 0.722 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Loa Loa (eye worm) degenerin unc-8 0.0092 0.722 0.722
Echinococcus multilocularis amiloride sensitive cation channel acid sensing ion channel pituitary 0.0092 0.722 1
Onchocerca volvulus 0.0117 1 1
Echinococcus granulosus FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Schistosoma mansoni hypothetical protein 0.0092 0.722 1
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0092 0.722 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.722 0.722
Schistosoma mansoni FMRFamide-gated Na+ channel 0.0092 0.722 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.722 0.722
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0092 0.722 1
Loa Loa (eye worm) amiloride-sensitive sodium channel 0.0092 0.722 0.722
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.0092 0.722 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Loa Loa (eye worm) amiloride-sensitive sodium channel family protein 0.0117 1 1
Brugia malayi Amiloride-sensitive sodium channel family protein 0.0092 0.722 0.722
Echinococcus multilocularis protein vprbp 0.0092 0.722 1
Schistosoma mansoni acid sensing ion channel 4 pituitary 0.0092 0.722 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.722 0.722
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Schistosoma mansoni hypothetical protein 0.0092 0.722 1
Brugia malayi amiloride-sensitive sodium channel alpha-subunit, putative 0.0092 0.722 0.722
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.0092 0.722 1
Brugia malayi Degenerin-like protein C41C4.5 in chromosome II, putative 0.0092 0.722 0.722
Schistosoma mansoni hypothetical protein 0.0092 0.722 1
Schistosoma mansoni hypothetical protein 0.0092 0.722 1
Echinococcus granulosus sodium channel nonvoltage gated 1 alpha 0.0092 0.722 1
Schistosoma mansoni hypothetical protein 0.0092 0.722 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.722 0.722
Schistosoma mansoni hypothetical protein 0.0092 0.722 1
Echinococcus multilocularis Na+ channel, amiloride sensitive 0.0092 0.722 1
Echinococcus granulosus protein vprbp 0.0092 0.722 1
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.722 0.722
Echinococcus multilocularis amiloride sensitive cation channel 4 A 0.0092 0.722 1
Echinococcus multilocularis sodium channel nonvoltage gated 1 alpha 0.0092 0.722 1
Brugia malayi Degenerin unc-8 0.0092 0.722 0.722
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Echinococcus granulosus Na channel amiloride sensitive 0.0092 0.722 1
Schistosoma mansoni hypothetical protein 0.0092 0.722 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.722 0.722
Echinococcus multilocularis FMRFamide activated amiloride sensitive sodium 0.0092 0.722 1
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0092 0.722 1
Schistosoma mansoni amiloride-sensitive sodium channel-related 0.0092 0.722 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 46 nM Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%) ChEMBL. 9873735
EC50 (functional) = 46 nM Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%) ChEMBL. 9873735
EC50 (functional) > 10000 nM Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%) ChEMBL. 9873735
EC50 (functional) > 10000 nM Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%) ChEMBL. 9873735
Efficacy (functional) < 20 % Agonist activity determined against hPR (human progesterone receptor) compared to that of progesterone (100%) ChEMBL. 9873735
Efficacy (functional) < 20 % Agonist activity determined against hPR (human progesterone receptor) compared to that of progesterone (100%) ChEMBL. 9873735
Efficacy (functional) = 75 % Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%) ChEMBL. 9873735
Efficacy (functional) = 75 % Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%) ChEMBL. 9873735
Ki (binding) = 38.4 nM Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay ChEMBL. 9873735
Ki (binding) = 38.4 nM Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay ChEMBL. 9873735

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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