Detailed information for compound 2078379

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.82 | Formula: C16H22ClF3N4O
  • H donors: 2 H acceptors: 1 LogP: 3.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(o1)c1n[nH]cc1CNCC1CCN(C1)CC(F)(F)F.Cl
  • InChi: 1S/C16H21F3N4O.ClH/c1-11-2-3-14(24-11)15-13(8-21-22-15)7-20-6-12-4-5-23(9-12)10-16(17,18)19;/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,21,22);1H
  • InChiKey: BFQNYHVDXNHVJR-UHFFFAOYSA-N  

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
Loa Loa (eye worm) hypothetical protein 0.0066 0.072 0.0782
Echinococcus granulosus jumonji domain containing protein 0.004 0.0157 0.0225
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0297 0.5799 0.665
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0352 0.7001 1
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0352 0.7001 1
Entamoeba histolytica hypothetical protein 0.0051 0.0406 0.5
Trypanosoma cruzi spermidine synthase, putative 0.0201 0.3693 0.4984
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.043 0.8699 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0631 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0043 0.0062
Brugia malayi Pre-SET motif family protein 0.043 0.8699 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0157 0.0225
Plasmodium vivax SET domain protein, putative 0.0062 0.0631 0.1708
Loa Loa (eye worm) hypothetical protein 0.0066 0.072 0.0782
Schistosoma mansoni hypothetical protein 0.0056 0.0501 0.1701
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.1346 0.1922
Echinococcus multilocularis spermidine synthase 0.0201 0.3693 0.5275
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0581 0.083
Echinococcus granulosus geminin 0.0167 0.2946 0.4209
Plasmodium vivax spermidine synthase, putative 0.0201 0.3693 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0406 0.0419
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0352 0.7001 0.8038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0631 0.214
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0352 0.7001 1
Brugia malayi NNMT/PNMT/TEMT family protein 0.0297 0.5799 0.665
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0172 0.304 0.8233
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0352 0.7001 1
Trypanosoma brucei spermidine synthase 0.0201 0.3693 0.4984
Leishmania major S-adenosylmethionine decarboxylase 0.0352 0.7001 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0631 0.214
Mycobacterium ulcerans spermidine synthase 0.0177 0.3158 0.5
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0921 0.3126
Plasmodium falciparum spermidine synthase 0.0201 0.3693 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.1346 0.1922
Loa Loa (eye worm) hypothetical protein 0.0049 0.0361 0.0367
Brugia malayi hypothetical protein 0.0066 0.072 0.0782
Brugia malayi jmjC domain containing protein 0.0094 0.1346 0.1505
Echinococcus multilocularis geminin 0.0167 0.2946 0.4209
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0631 0.0901
Trypanosoma cruzi spermidine synthase, putative 0.0201 0.3693 0.4984
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0352 0.7001 1
Echinococcus granulosus spermidine synthase 0.0201 0.3693 0.5275
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0172 0.304 0.8233
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0631 0.0901
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0582 0.0623
Brugia malayi Pre-SET motif family protein 0.0062 0.0631 0.0679
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0352 0.7001 1
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0352 0.7001 1
Trypanosoma cruzi spermidine synthase, putative 0.0201 0.3693 0.4984
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0177 0.3158 0.5
Brugia malayi hypothetical protein 0.0066 0.072 0.0782
Loa Loa (eye worm) hypothetical protein 0.0297 0.5799 0.665
Leishmania major spermidine synthase 0.0201 0.3693 0.5275
Brugia malayi Spermidine synthase 0.0201 0.3693 0.4216
Trypanosoma cruzi spermidine synthase, putative 0.0201 0.3693 0.4984
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0043 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0631 0.214
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0043 0.0146
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0043 0.0146
Trichomonas vaginalis set domain proteins, putative 0.0489 1 1
Schistosoma mansoni hypothetical protein 0.0167 0.2946 1
Loa Loa (eye worm) spermidine synthase 0.0201 0.3693 0.4216
Onchocerca volvulus 0.0066 0.072 0.0096
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0631 0.214
Brugia malayi hypothetical protein 0.0051 0.0406 0.0419
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0631 0.0901
Loa Loa (eye worm) hypothetical protein 0.0066 0.072 0.0782
Loa Loa (eye worm) hypothetical protein 0.0062 0.0631 0.0679
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0352 0.7001 0.8038
Schistosoma mansoni hypothetical protein 0.0167 0.2946 1
Loa Loa (eye worm) hypothetical protein 0.0297 0.5799 0.665
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0051 0.0406 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.

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