Detailed information for compound 228684

Basic information

Technical information
  • TDR Targets ID: 228684
  • Name: (5Z)-9-fluoro-2,2,4-trimethyl-5-[[2-(trifluor omethyl)phenyl]methylidene]-1H-chromeno[3,4-f ]quinoline
  • MW: 451.455 | Formula: C27H21F4NO
  • H donors: 1 H acceptors: 0 LogP: 7.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)c1ccc3c(c1/C(=C/c1ccccc1C(F)(F)F)/O2)C(=CC(N3)(C)C)C
  • InChi: 1S/C27H21F4NO/c1-15-14-26(2,3)32-21-10-9-18-19-13-17(28)8-11-22(19)33-23(25(18)24(15)21)12-16-6-4-5-7-20(16)27(29,30)31/h4-14,32H,1-3H3/b23-12-
  • InChiKey: KRGHYOHPNZAIEO-FMCGGJTJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-9-fluoro-2,2,4-trimethyl-5-[[2-(trifluoromethyl)phenyl]methylene]-1H-chromeno[3,4-f]quinoline
  • (5Z)-9-fluoro-2,2,4-trimethyl-5-[[2-(trifluoromethyl)phenyl]methylene]-1H-[1]benzopyrano[3,4-f]quinoline
  • (5Z)-9-fluoro-2,2,4-trimethyl-5-[2-(trifluoromethyl)benzylidene]-1H-chromeno[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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0954 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.3536 0.3536
Echinococcus multilocularis geminin 0.0196 0.7332 1
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.19 0.19
Schistosoma mansoni hypothetical protein 0.0196 0.7332 0.7332
Schistosoma mansoni hypothetical protein 0.0196 0.7332 0.7332
Loa Loa (eye worm) TAR-binding protein 0.0144 0.4937 0.4937
Schistosoma mansoni ets-related 0.0255 1 1
Echinococcus granulosus tar DNA binding protein 0.0144 0.4937 0.6733
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0954 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.0954 0.5
Trypanosoma brucei protein kinase, putative 0.0057 0.0954 0.5
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4937 0.4937
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.4937 0.4937
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.0954 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.3536 0.3536
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4937 0.4937
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.0954 0.0954
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.0954 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.0954 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.164 0.164
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.4937 0.4937
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4937 0.4937
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0954 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.0954 0.1301
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0084 0.2196 0.2196
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.0954 0.1301
Echinococcus multilocularis tar DNA binding protein 0.0144 0.4937 0.6733
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4937 0.4937
Echinococcus multilocularis GA binding protein alpha chain 0.0084 0.2196 0.2995
Brugia malayi Ets-domain containing protein 0.0084 0.2196 0.2196
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.0954 0.1301
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.0954 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.0954 0.5
Brugia malayi RNA binding protein 0.0144 0.4937 0.4937
Echinococcus granulosus geminin 0.0196 0.7332 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.0954 0.1301
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0954 0.5
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4937 0.4937
Brugia malayi MAP kinase sur-1 0.0057 0.0954 0.0954
Brugia malayi Ets-domain containing protein 0.0084 0.2196 0.2196
Loa Loa (eye worm) hypothetical protein 0.0113 0.3536 0.3536
Loa Loa (eye worm) RNA binding protein 0.0144 0.4937 0.4937
Echinococcus granulosus GA binding protein alpha chain 0.0084 0.2196 0.2995
Loa Loa (eye worm) hypothetical protein 0.0077 0.19 0.19
Schistosoma mansoni gabp alpha 0.0084 0.2196 0.2196
Loa Loa (eye worm) fli-1 protein 0.0255 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0954 0.5
Schistosoma mansoni hypothetical protein 0.0077 0.19 0.19
Brugia malayi TAR-binding protein 0.0144 0.4937 0.4937
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0954 0.0954
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0954 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.3536 0.3536
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.0954 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 14 nM Agonistic activity against human progesterone receptor in CV-1 cells ChEMBL. 12954062
EC50 (functional) = 14 nM Agonistic activity against human progesterone receptor in CV-1 cells ChEMBL. 12954062
EC50 (functional) = 161 nM Agonistic activity against human progesterone receptor in T47D breast cancer cells ChEMBL. 12954062
EC50 (functional) = 161 nM Agonistic activity against human progesterone receptor in T47D breast cancer cells ChEMBL. 12954062
Efficacy (functional) = 56 % Percent agonistic effect towards human progesterone receptor in T47D breast cancer cells ChEMBL. 12954062
Efficacy (functional) = 56 % Percent agonistic effect towards human progesterone receptor in T47D breast cancer cells ChEMBL. 12954062
Efficacy (functional) = 127 % Percent agonistic effect towards human progesterone receptor in CV-1 cells ChEMBL. 12954062
Efficacy (functional) = 127 % Percent agonistic effect towards human progesterone receptor in CV-1 cells ChEMBL. 12954062
Ki (binding) = 45.5 nM Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand ChEMBL. 12954062
Ki (binding) = 45.5 nM Binding affinity towards human progesterone receptor A isoform using progesterone as radioligand ChEMBL. 12954062

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.