Detailed information for compound 1652675

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 268.231 | Formula: C14H11F3O2
  • H donors: 0 H acceptors: 1 LogP: 3.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccc(cc1)/C=C/C1OC=CC(=O)C1)(F)F
  • InChi: 1S/C14H11F3O2/c15-14(16,17)11-4-1-10(2-5-11)3-6-13-9-12(18)7-8-19-13/h1-8,13H,9H2/b6-3+
  • InChiKey: WIIGPGBYYYDQNG-ZZXKWVIFSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0071 0.3257 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1064 0.1064
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.1355 0.5
Schistosoma mansoni dihydrofolate reductase 0.0185 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0071 0.3257 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.7273 0.7273
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0185 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.1064 0.1064
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.751 0.751
Loa Loa (eye worm) dihydrofolate reductase 0.0185 1 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0185 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1981 0.1981
Loa Loa (eye worm) hypothetical protein 0.0049 0.1981 0.1981
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.1561 0.1561
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.751 0.751
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.1561 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.2125 0.2125
Brugia malayi Dihydrofolate reductase 0.0185 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0415 0.0415
Chlamydia trachomatis dihydrofolate reductase 0.0185 1 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0415 0.0415
Echinococcus multilocularis dihydrofolate reductase 0.0185 1 1
Echinococcus granulosus dihydrofolate reductase 0.0185 1 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0071 0.3257 1
Brugia malayi Cytochrome P450 family protein 0.0052 0.2125 0.2125
Brugia malayi Cytochrome P450 family protein 0.0023 0.0415 0.0415
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0071 0.3257 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.751 0.751
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.1561 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.1355 0.5
Brugia malayi Cytochrome P450 family protein 0.0023 0.0415 0.0415
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0415 0.0415
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0071 0.3257 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0185 1 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.1064 0.1064
Loa Loa (eye worm) acetyltransferase 0.0143 0.751 0.751
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1981 0.1981
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0071 0.3257 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1981 0.1981

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 38.6 uM Growth inhibition of human U251 cells after 48 hrs by sulforhodamine B assay ChEMBL. 22537680

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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