Detailed information for compound 2077561

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 681.505 | Formula: C25H28F9N5O7
  • H donors: 3 H acceptors: 9 LogP: 1.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C(=O)c1nn(c2c1CCN(C2)CC1CC1)C)Cc1ccccn1
  • InChi: 1S/C19H25N5O.3C2HF3O2/c1-22(12-15-5-3-4-9-20-15)19(25)18-16-8-10-24(11-14-6-7-14)13-17(16)23(2)21-18;3*3-2(4,5)1(6)7/h3-5,9,14H,6-8,10-13H2,1-2H3;3*(H,6,7)
  • InChiKey: ZMCMJFQJBYKUAG-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
Mycobacterium ulcerans ion transport protein 0.0011 0 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0121 0.5262 0.5262
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0316 0.0316
Trypanosoma brucei calcium-activated potassium channel, putative 0.0011 0 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0025 0.067 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0017 0.0285 0.0285
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0316 0.0316
Leishmania major hypothetical protein, conserved 0.0011 0 0.5
Leishmania major hypothetical protein, conserved 0.0011 0 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0316 0.0316
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0011 0 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0025 0.067 0.1106
Echinococcus granulosus histone acetyltransferase KAT2B 0.0025 0.067 0.067
Leishmania major calcium/potassium channel (CAKC), putative 0.0011 0 0.5
Brugia malayi Pre-SET motif family protein 0.0121 0.5262 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0025 0.067 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.4217 0.4217
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0316 0.0316
Trypanosoma cruzi ion transport protein, putative 0.0011 0 0.5
Leishmania major ion transport protein-like protein 0.0011 0 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0025 0.067 1
Mycobacterium ulcerans transmembrane cation transporter 0.0011 0 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0084 0.3509 0.3509
Entamoeba histolytica acetyltransferase, GNAT family 0.0023 0.0572 1
Brugia malayi Pre-SET motif family protein 0.0017 0.0316 0.06
Leishmania major potassium channel subunit-like protein 0.0011 0 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0316 0.0316
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0017 0.0316 0.4712
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0011 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.0138 0.6059 1
Onchocerca volvulus 0.0017 0.0316 0.0521
Giardia lamblia Histone acetyltransferase GCN5 0.0023 0.0572 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0011 0 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0084 0.3509 0.6668
Loa Loa (eye worm) acetyltransferase 0.0084 0.3509 0.3509
Trichomonas vaginalis bromodomain-containing protein, putative 0.0025 0.067 0.1106
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.022 1 1
Plasmodium vivax SET domain protein, putative 0.0017 0.0316 0.4712
Trypanosoma cruzi ion transport protein, putative 0.0011 0 0.5
Schistosoma mansoni calcium-activated potassium channel 0.022 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0017 0.0316 0.0316
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0084 0.3509 0.3509
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0017 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.011 0.4758 0.4758
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0011 0 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0023 0.0572 1
Echinococcus multilocularis small conductance calcium activated potassium 0.022 1 1
Onchocerca volvulus 0.0138 0.6059 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0082 0.3396 0.3396
Schistosoma mansoni calcium-activated potassium channel 0.021 0.9487 0.9487
Schistosoma mansoni hypothetical protein 0.022 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0316 0.0316

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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