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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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