Detailed information for compound 1771666

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.495 | Formula: C27H26F3NO4
  • H donors: 2 H acceptors: 3 LogP: 6.32 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1C)C(=O)O
  • InChi: 1S/C27H26F3NO4/c1-3-4-13-35-24-12-8-19(23-11-7-20(26(33)34)14-17(23)2)15-21(24)16-31-25(32)18-5-9-22(10-6-18)27(28,29)30/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,31,32)(H,33,34)
  • InChiKey: WBZASHDWKYZRLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor delta 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor delta 441 aa 369 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.2177 0.5831 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0062 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3689 1 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.2177 0.5831 1
Toxoplasma gondii phosphoglycerate mutase family protein 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3689 1 1
Mycobacterium tuberculosis Conserved protein 0.0062 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0062 0 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3627 0.9828 0.9828
Toxoplasma gondii phosphoglycerate mutase family protein 0.0062 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1574 0.4169 0.4169
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1574 0.4169 0.4169
Trichomonas vaginalis conserved hypothetical protein 0.0062 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3627 0.9828 0.9828
Plasmodium vivax phosphoglycerate mutase, putative 0.0062 0 0.5
Toxoplasma gondii phosphoglycerate mutase 0.0062 0 0.5
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0062 0 0.5
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0062 0 0.5
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2115 0.566 0.566
Brugia malayi UBASH3A protein homolog 0.0062 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0062 0 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3689 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1574 0.4169 0.4169
Mycobacterium leprae conserved hypothetical protein 0.0062 0 0.5
Brugia malayi phosphoglycerate mutase family protein 0.0062 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0062 0 0.5
Plasmodium falciparum phosphoglucomutase-2 0.0062 0 0.5
Giardia lamblia Hypothetical protein 0.2177 0.5831 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0062 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0062 0 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0062 0 0.5
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.3689 1 1
Plasmodium falciparum phosphoglycerate mutase, putative 0.0062 0 0.5
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0062 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.3627 0.9828 0.9828
Plasmodium vivax phosphoglucomutase-2, putative 0.0062 0 0.5
Brugia malayi phosphoglycerate mutase family protein 0.0062 0 0.5
Mycobacterium ulcerans hypothetical protein 0.2177 0.5831 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0062 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0062 0 0.5
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0062 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3689 1 1
Mycobacterium leprae conserved hypothetical protein 0.0062 0 0.5
Onchocerca volvulus 0.3689 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1574 0.4169 0.4169
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0062 0 0.5
Schistosoma mansoni 6-phosphofructokinase 0.3689 1 1
Mycobacterium leprae probable isochorismate synthase EntC 0.0062 0 0.5
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0062 0 0.5
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0062 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.3627 0.9828 0.9828
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0062 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.3627 0.9828 0.9828
Mycobacterium leprae Possible phosphoglycerate mutase 0.0062 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3689 1 1
Giardia lamblia Hypothetical protein 0.2177 0.5831 0.5
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0062 0 0.5
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0062 0 0.5
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0062 0 0.5
Treponema pallidum phosphoglyceromutase 0.0062 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.019 uM Antagonist activity at human PPARdelta assessed as effect on TIPP-703-induced activity ChEMBL. 23891183
Inhibition (binding) = 12.6 % Antagonist activity at human PPARalpha assessed as effect on TIPP-703-induced activity at 10 uM ChEMBL. 23891183

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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