Detailed information for compound 1524563

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.401 | Formula: C24H16FN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNC(=O)c1ccc2c(c1)nc(c(n2)c1ccco1)c1ccco1
  • InChi: 1S/C24H16FN3O3/c25-17-8-5-15(6-9-17)14-26-24(29)16-7-10-18-19(13-16)28-23(21-4-2-12-31-21)22(27-18)20-3-1-11-30-20/h1-13H,14H2,(H,26,29)
  • InChiKey: ZQYMOHZBRLRRAF-UHFFFAOYSA-N  

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
Trypanosoma brucei chrX additional, unordered contigs 0.0052 0.553 0.553
Chlamydia trachomatis 1-deoxy-D-xylulose-5-phosphate synthase 0.0052 0.553 0.553
Trypanosoma cruzi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0052 0.553 0.553
Loa Loa (eye worm) 2-oxoisovalerate dehydrogenase subunit beta 0.0052 0.553 0.553
Wolbachia endosymbiont of Brugia malayi transketolase 0.0052 0.553 0.553
Loa Loa (eye worm) hypothetical protein 0.0052 0.553 0.553
Trypanosoma brucei pyruvate dehydrogenase E1 beta subunit, putative 0.0075 1 1
Toxoplasma gondii pyruvate dehydrogenase E1 component, beta subunit, putative 0.0052 0.553 0.553
Onchocerca volvulus 0.0057 0.6442 0.5
Echinococcus granulosus transketolase 0.0052 0.553 0.553
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate synthase, putative 0.0052 0.553 0.553
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate synthase 0.0052 0.553 0.553
Brugia malayi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor 0.0052 0.553 0.553
Entamoeba histolytica transketolase, chloroplast, putative 0.0052 0.553 0.5
Trichomonas vaginalis transketolase, putative 0.0052 0.553 0.5
Leishmania major 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0052 0.553 0.553
Entamoeba histolytica transketolase, putative 0.0052 0.553 0.5
Entamoeba histolytica transketolase, putative 0.0052 0.553 0.5
Plasmodium falciparum 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial, putative 0.0052 0.553 0.553
Trypanosoma cruzi transketolase, putative 0.0052 0.553 0.553
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate synthase Dxs1 (1-deoxyxylulose-5-phosphate synthase) (DXP synthase) (DXPS) 0.0052 0.553 0.5
Chlamydia trachomatis pyruvate dehydrogenase subunit beta 0.0075 1 1
Chlamydia trachomatis oxoisovalerate dehydrogenase subunits alpha/beta 0.0059 0.6788 0.6788
Schistosoma mansoni transketolase 0.0052 0.553 0.553
Plasmodium falciparum pyruvate dehydrogenase E1 component subunit beta 0.0075 1 1
Entamoeba histolytica transketolase, putative 0.0052 0.553 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 1 1
Schistosoma mansoni pyruvate dehydrogenase (lipoamide) 0.0075 1 1
Trypanosoma cruzi 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0052 0.553 0.553
Trypanosoma brucei transketolase, putative 0.0052 0.553 0.553
Toxoplasma gondii transketolase 0.0052 0.553 0.553
Plasmodium vivax pyruvate dehydrogenase E1 component subunit beta, putative 0.0075 1 1
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E1 component, beta subunit BkdB 0.0052 0.553 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 1 1
Mycobacterium tuberculosis Transketolase Tkt (TK) 0.0052 0.553 0.5
Wolbachia endosymbiont of Brugia malayi pyruvate dehydrogenase subunit beta 0.0075 1 1
Brugia malayi transketolase 0.0052 0.553 0.553
Mycobacterium ulcerans pyruvate dehydrogenase E1 component subunit PdhB 0.0052 0.553 1
Echinococcus multilocularis transketolase 0.0052 0.553 0.553
Mycobacterium ulcerans 1-deoxy-D-xylulose-5-phosphate synthase 0.0052 0.553 1
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0075 1 1
Trypanosoma brucei 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0052 0.553 0.553
Trypanosoma brucei 2-oxoisovalerate dehydrogenase beta subunit, mitochondrial precursor, putative 0.0052 0.553 0.553
Trypanosoma cruzi pyruvate dehydrogenase E1 beta subunit, putative 0.0075 1 1
Toxoplasma gondii 1-deoxy-D-xylulose-5-phosphate synthase 0.0052 0.553 0.553
Mycobacterium ulcerans transketolase 0.0052 0.553 1
Echinococcus granulosus pyruvate dehydrogenase 0.0075 1 1
Echinococcus granulosus transketolase 0.0052 0.553 0.553
Brugia malayi pyruvate dehydrogenase E1 component beta subunit, putative 0.0075 1 1
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE SYNTHASE DXS1 (1-DEOXYXYLULOSE-5-PHOSPHATE SYNTHASE) (DXP SYNTHASE) (DXPS) 0.0052 0.553 1
Plasmodium vivax 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial, putative 0.0052 0.553 0.553
Chlamydia trachomatis transketolase 0.0052 0.553 0.553
Leishmania major pyruvate dehydrogenase E1 beta subunit, putative 0.0075 1 1
Trypanosoma cruzi transketolase, putative 0.0052 0.553 0.553
Echinococcus multilocularis pyruvate dehydrogenase 0.0075 1 1
Echinococcus multilocularis transketolase 0.0052 0.553 0.553
Leishmania major transketolase 0.0052 0.553 0.553
Schistosoma mansoni transketolase 0.0052 0.553 0.553
Mycobacterium leprae Probable transketolase Tkt (TK) 0.0052 0.553 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PD-HE1Beta 0.0075 1 1
Treponema pallidum 1-deoxy-D-xylulose-5-phosphate synthase 0.0052 0.553 0.5

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.

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