Detailed information for compound 646855

Basic information

Technical information
  • TDR Targets ID: 646855
  • Name: 3-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thia diazol-2-yl]-1-(2-fluorophenyl)urea
  • MW: 372.417 | Formula: C18H17FN4O2S
  • H donors: 2 H acceptors: 3 LogP: 3.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1F)Nc1nnc(s1)COc1cc(C)ccc1C
  • InChi: 1S/C18H17FN4O2S/c1-11-7-8-12(2)15(9-11)25-10-16-22-23-18(26-16)21-17(24)20-14-6-4-3-5-13(14)19/h3-9H,10H2,1-2H3,(H2,20,21,23,24)
  • InChiKey: XGFYLRDFHXAGAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_460874
  • ZINC02355271
  • STK003370

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
Schistosoma mansoni intermediate filament proteins 0.003 0.3055 0.2542
Loa Loa (eye worm) hypothetical protein 0.0038 0.4559 0.5775
Brugia malayi intermediate filament protein 0.003 0.3055 0.3537
Schistosoma mansoni lamin 0.003 0.3055 0.2542
Toxoplasma gondii aldehyde dehydrogenase 0.0066 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0688 0.0871
Onchocerca volvulus 0.003 0.3055 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0688 0.0375
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.3055 0.3537
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 1 0.5
Echinococcus granulosus lamin dm0 0.003 0.3055 0.2982
Echinococcus granulosus lamin 0.003 0.3055 0.2982
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.3055 0.387
Echinococcus multilocularis GPCR, family 2 0.0017 0.0688 0.059
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.4559 0.5545
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0688 0.0871
Loa Loa (eye worm) hypothetical protein 0.0055 0.7895 1
Echinococcus multilocularis musashi 0.003 0.3055 0.2982
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.7895 1
Schistosoma mansoni lamin 0.003 0.3055 0.2542
Schistosoma mansoni aldehyde dehydrogenase 0.0066 1 1
Echinococcus granulosus GPCR family 2 0.0017 0.0688 0.059
Onchocerca volvulus 0.003 0.3055 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.3055 0.387
Loa Loa (eye worm) hypothetical protein 0.0014 0.0104 0.0132
Echinococcus multilocularis lamin dm0 0.003 0.3055 0.2982
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0407 0.0516
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0688 0.059
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.7895 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0688 0.0375
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.7895 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0688 0.059
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0688 0.059
Schistosoma mansoni hypothetical protein 0.0038 0.4559 0.4157
Loa Loa (eye worm) hypothetical protein 0.0029 0.2951 0.3738
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 1 0.5
Echinococcus multilocularis lamin 0.003 0.3055 0.2982
Echinococcus granulosus intermediate filament protein 0.003 0.3055 0.2982
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0688 0.059
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 1 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 1 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0066 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 1 0.5
Loa Loa (eye worm) intermediate filament protein 0.003 0.3055 0.387

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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