Detailed information for compound 972493

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 224.185 | Formula: C11H9FO4
  • H donors: 1 H acceptors: 3 LogP: 2.21 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)/C(=C/C(=O)c1ccccc1F)/O
  • InChi: 1S/C11H9FO4/c1-16-11(15)10(14)6-9(13)7-4-2-3-5-8(7)12/h2-6,14H,1H3/b10-6-
  • InChiKey: VTQKWBYSGWDQQQ-POHAHGRESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0252 0.426 0.4288
Loa Loa (eye worm) hypothetical protein 0.0161 0.2458 0.2354
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0266 0.0277
Brugia malayi hypoxia-induced factor 1 0.0148 0.2214 0.2311
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0266 0.0023
Brugia malayi PAS domain containing protein 0.0048 0.0244 0.0255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0266 0.0023
Schistosoma mansoni UDP-glucose 4-epimerase 0.0523 0.9581 1
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0523 0.9581 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.0294 0.003
Toxoplasma gondii UDP-glucose 4-epimerase 0.0523 0.9581 0.5
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0523 0.9581 0.5
Brugia malayi hypothetical protein 0.0161 0.2458 0.2566
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0266 0.0277
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0266 0.0277
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0523 0.9581 1
Brugia malayi follicle stimulating hormone receptor 0.0252 0.426 0.4446
Leishmania major udp-glc 4-epimerase, putative 0.0544 1 0.5
Trypanosoma brucei UDP-galactose 4-epimerase 0.0544 1 0.5
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0523 0.9581 0.5
Onchocerca volvulus 0.0035 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0266 0.0277
Brugia malayi UDP galactose 4'-epimerase 0.0523 0.9581 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0148 0.2214 0.2091
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0266 0.0277
Mycobacterium ulcerans putative regulatory protein 0.0035 0 0.5
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0523 0.9581 0.5
Echinococcus granulosus UDP glucose 4 epimerase 0.0523 0.9581 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0266 0.0023
Brugia malayi Cytochrome P450 family protein 0.005 0.0294 0.0307
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0523 0.9581 0.5
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0523 0.9581 0.5
Echinococcus multilocularis UDP glucose 4 epimerase 0.0523 0.9581 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophoresis ChEMBL. 18644730
IC50 (binding) > 100 uM Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophoresis ChEMBL. 18644730

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.

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