Detailed information for compound 1546121

Basic information

Technical information
  • TDR Targets ID: 1546121
  • Name: ZINC04646813
  • MW: 329.318 | Formula: C15H18F3N3O2
  • H donors: 2 H acceptors: 2 LogP: 3.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)N/N=C(/c1ccc(cc1)NC(=O)C(F)(F)F)\C
  • InChi: 1S/C15H18F3N3O2/c1-3-4-5-13(22)21-20-10(2)11-6-8-12(9-7-11)19-14(23)15(16,17)18/h6-9H,3-5H2,1-2H3,(H,19,23)(H,21,22)/b20-10+
  • InChiKey: ONNXAZPRHBPWFM-KEBDBYFISA-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) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.2578 0.2578
Plasmodium vivax importin-beta 2, putative 0.0032 0.058 1
Onchocerca volvulus Huntingtin homolog 0.0138 0.3743 1
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0396 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0454 0.0454
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.058 1
Brugia malayi Importin beta-1 subunit 0.0032 0.058 0.139
Schistosoma mansoni hypothetical protein 0.0346 1 1
Schistosoma mansoni lamin 0.0028 0.0454 0.0135
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.058 1
Onchocerca volvulus Huntingtin homolog 0.0138 0.3743 1
Echinococcus granulosus lamin 0.0028 0.0454 0.0439
Plasmodium falciparum importin beta, putative 0.0032 0.058 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.006 0.006
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0323 0.0308
Schistosoma mansoni importin beta-1 0.0032 0.058 0.0266
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0396 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.2578 0.2567
Brugia malayi RNA, U transporter 1 0.0092 0.2375 0.6189
Loa Loa (eye worm) TAR-binding protein 0.014 0.38 0.38
Echinococcus multilocularis tar DNA binding protein 0.014 0.38 0.3791
Brugia malayi intermediate filament protein 0.0028 0.0454 0.1052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.2578 0.2331
Schistosoma mansoni tar DNA-binding protein 0.014 0.38 0.3593
Loa Loa (eye worm) hypothetical protein 0.0028 0.0454 0.0454
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0396 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0396 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.3743 0.3743
Schistosoma mansoni tar DNA-binding protein 0.014 0.38 0.3593
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.058 1
Brugia malayi TAR-binding protein 0.014 0.38 1
Echinococcus granulosus importin subunit beta 1 0.0032 0.058 0.0566
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.2578 0.2331
Brugia malayi MH2 domain containing protein 0.0129 0.348 0.9142
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.2578 0.2567
Entamoeba histolytica hypothetical protein 0.0026 0.0396 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0454 0.0454
Echinococcus granulosus intermediate filament protein 0.0028 0.0454 0.0439
Echinococcus multilocularis musashi 0.0028 0.0454 0.0439
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.2578 0.2567
Echinococcus multilocularis importin subunit beta 1 0.0032 0.058 0.0566
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.348 0.348
Brugia malayi RNA binding protein 0.014 0.38 1
Loa Loa (eye worm) RNA binding protein 0.014 0.38 0.38
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0323 0.0702
Loa Loa (eye worm) hypothetical protein 0.0028 0.0438 0.0438
Loa Loa (eye worm) hypothetical protein 0.0032 0.058 0.058
Leishmania major importin beta-1 subunit, putative 0.0026 0.0396 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0323 0.0323
Echinococcus granulosus tar DNA binding protein 0.014 0.38 0.3791
Echinococcus multilocularis snurportin 1 0.0346 1 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0323 0.0308
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.2578 0.2331
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0454 0.1052
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.348 0.348
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.2578 0.2567
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.014 0.38 0.38
Brugia malayi hypothetical protein 0.0138 0.3743 0.9847
Schistosoma mansoni tar DNA-binding protein 0.014 0.38 0.3593
Schistosoma mansoni tar DNA-binding protein 0.014 0.38 0.3593
Schistosoma mansoni lamin 0.0028 0.0454 0.0135
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0346 1 1
Echinococcus granulosus lamin dm0 0.0028 0.0454 0.0439
Schistosoma mansoni intermediate filament proteins 0.0028 0.0454 0.0135
Echinococcus multilocularis lamin dm0 0.0028 0.0454 0.0439
Schistosoma mansoni tar DNA-binding protein 0.014 0.38 0.3593
Echinococcus multilocularis lamin 0.0028 0.0454 0.0439
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0323 0.5
Brugia malayi RNA recognition motif domain containing protein 0.014 0.38 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.3743 0.3743
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.2578 0.6733

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.