Detailed information for compound 682880

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.443 | Formula: C21H24F3N5O2
  • H donors: 0 H acceptors: 3 LogP: 2.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(nc(c1)N1CCOCC1)N1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C21H24F3N5O2/c1-15-14-18(27-10-12-31-13-11-27)26-20(25-15)29-8-6-28(7-9-29)19(30)16-2-4-17(5-3-16)21(22,23)24/h2-5,14H,6-13H2,1H3
  • InChiKey: MGGFBPGIAUOQEM-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma mansoni cytochrome b 0.0373 0.4951 0.4869
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.1238 0.2501
Plasmodium vivax SET domain protein, putative 0.0029 0.016 0.0056
Schistosoma mansoni hypothetical protein 0.0047 0.0407 0.0251
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.287 0.5682
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0255 0.0097
Schistosoma mansoni microtubule-associated protein tau 0.0736 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0227 0.0083
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0704 0.1422
Plasmodium vivax cytochrome b 0.0373 0.4951 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.1238 0.2501
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0407 0.0821
Plasmodium falciparum cytochrome b 0.0373 0.4951 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0227 0.0458
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.016 0.0056
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.2935 0.2821
Schistosoma mansoni hypothetical protein 0.0034 0.0227 0.0068
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0255 0.5
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0255 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0704 0.0553
Schistosoma mansoni survival motor neuron protein 0.0047 0.0407 0.0251
Loa Loa (eye worm) transcription factor SMAD2 0.0243 0.3134 0.623
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0255 0.0516
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0255 0.0097
Schistosoma mansoni hypothetical protein 0.0034 0.0227 0.0068
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0255 0.0255
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0255 0.0097
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0227 0.0458
Loa Loa (eye worm) MH2 domain-containing protein 0.0243 0.3134 0.623
Schistosoma mansoni hypothetical protein 0.0164 0.2035 0.1906
Echinococcus granulosus GPCR family 2 0.0034 0.0227 0.0083
Brugia malayi hypothetical protein 0.0027 0.0133 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0704 0.0553
Schistosoma mansoni hypothetical protein 0.0073 0.077 0.062
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0227 0.0195
Echinococcus granulosus tar DNA binding protein 0.0068 0.0704 0.0568
Brugia malayi TAR-binding protein 0.0068 0.0704 0.1422
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0255 1
Brugia malayi RNA binding protein 0.0068 0.0704 0.1422
Loa Loa (eye worm) hypothetical protein 0.0228 0.2935 0.5817
Brugia malayi MH2 domain containing protein 0.0243 0.3134 0.6331
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0227 0.0083
Onchocerca volvulus 0.0229 0.2941 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0255 0.0112
Echinococcus granulosus cytochrome B 0.0373 0.4951 0.4877
Schistosoma mansoni hypothetical protein 0.0034 0.0227 0.0068
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0704 0.0553
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0227 0.0068
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.2555 0.5027
Echinococcus granulosus geminin 0.0164 0.2035 0.1918
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0255 0.0112
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0704 0.0553
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0255 0.0097
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0255 0.0112
Loa Loa (eye worm) hypothetical protein 0.0073 0.077 0.1323
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0704 0.1186
Echinococcus multilocularis microtubule associated protein 2 0.0736 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.2035 0.1906
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.1238 0.2295
Loa Loa (eye worm) hypothetical protein 0.0034 0.0227 0.0195
Brugia malayi cytochrome b 0.0373 0.4951 1
Toxoplasma gondii cytochrome b 0.0373 0.4951 1
Brugia malayi follicle stimulating hormone receptor 0.0224 0.287 0.5797
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0255 1
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.077 0.1555
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0704 0.1186
Schistosoma mansoni cytochrome b 0.0373 0.4951 0.4869
Brugia malayi hypothetical protein 0.0228 0.2935 0.5929
Echinococcus multilocularis geminin 0.0164 0.2035 0.1906
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0255 1
Schistosoma mansoni hypothetical protein 0.0034 0.0227 0.0068
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0255 0.0097
Brugia malayi Pre-SET motif family protein 0.0029 0.016 0.0322
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0227 0.0068
Loa Loa (eye worm) hypothetical protein 0.0029 0.016 0.0056
Trichomonas vaginalis set domain proteins, putative 0.0229 0.2941 1
Brugia malayi Pre-SET motif family protein 0.0201 0.2555 0.516
Loa Loa (eye worm) hypothetical protein 0.0106 0.1238 0.2295
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0704 0.0553
Loa Loa (eye worm) cytochrome b 0.0373 0.4951 1
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.2935 0.2832
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0373 0.4951 0.5
Toxoplasma gondii apocytochrome b, putative 0.0373 0.4951 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.016 0.0015
Onchocerca volvulus 0.0047 0.0407 0.0888
Echinococcus multilocularis GPCR, family 2 0.0034 0.0227 0.0068
Loa Loa (eye worm) RNA binding protein 0.0068 0.0704 0.1186
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0704 0.0553

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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