Detailed information for compound 650465

Basic information

Technical information
  • TDR Targets ID: 650465
  • Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluorome thyl)chromen-7-yl] propanoate
  • MW: 422.351 | Formula: C21H17F3O6
  • H donors: 0 H acceptors: 2 LogP: 4.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(c(c1)OC)OC)C(F)(F)F
  • InChi: 1S/C21H17F3O6/c1-4-17(25)29-12-6-7-13-15(10-12)30-20(21(22,23)24)18(19(13)26)11-5-8-14(27-2)16(9-11)28-3/h5-10H,4H2,1-3H3
  • InChiKey: GGMDVQFGFCXEOA-UHFFFAOYSA-N  

Network

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Synonyms

  • propanoic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-7-chromenyl] ester
  • propionic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester
  • ZINC00939986
  • ST5184107
  • ChemDiv1_006463

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
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0043 0.0806 0.0506
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0043 0.0806 0.0859
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.4907 0.4907
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0066 0.2626 1
Brugia malayi hypothetical protein 0.015 0.9393 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0066 0.2626 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0066 0.2626 0.2626
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0043 0.0804 0.211
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0066 0.2626 0.2386
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0045 0.0991 0.1055
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0043 0.0806 0.0506
Onchocerca volvulus 0.015 0.9393 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0066 0.2626 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0043 0.0806 0.2123
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.0316 0.0316
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0066 0.2626 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0806 0.0859
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0043 0.0806 0.2123
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0158 1 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0158 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.4907 0.4907
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0043 0.0806 0.0859
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0043 0.0804 0.211
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0043 0.0804 0.211
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.4907 0.4741
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0066 0.2626 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0066 0.2626 0.5
Brugia malayi Inositol-1 0.0037 0.0316 0.0337
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0066 0.2626 0.2626
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0066 0.2626 0.2626
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1227 0.1306
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0066 0.2626 0.2796
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.4907 0.4741
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0045 0.0991 0.1055
Loa Loa (eye worm) inositol-1 0.0037 0.0316 0.0337
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0066 0.2626 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0005 0.5
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0066 0.2626 1
Schistosoma mansoni alkaline phosphatase 0.0158 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.4907 0.4741
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0066 0.2626 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0066 0.2626 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0066 0.2626 0.2386
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1227 0.1306
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0158 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.4907 0.4741
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0066 0.2626 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0066 0.2626 0.2386
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0158 1 1
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0158 1 1
Echinococcus multilocularis alkaline phosphatase 0.0158 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1227 0.1306
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0066 0.2626 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.4907 0.5224
Schistosoma mansoni alkaline phosphatase 0.0158 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0066 0.2626 1
Schistosoma mansoni hypothetical protein 0.0082 0.3923 0.3923
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0066 0.2626 0.2626
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0066 0.2626 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1227 0.1306
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0043 0.0804 0.211
Echinococcus granulosus alkaline phosphatase 0.0158 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.4907 0.5224
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0066 0.2626 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0066 0.2626 1
Loa Loa (eye worm) hypothetical protein 0.015 0.9393 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0066 0.2626 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0005 0.5
Schistosoma mansoni inositol monophosphatase 0.0037 0.0316 0.0316
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0066 0.2626 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0066 0.2626 0.2386
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.4907 0.4907

Activities

No activities found for this compound.

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

No literature references available for this target.

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