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

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
Brugia malayi acetyltransferase, GNAT family protein 0.0084 0.3509 0.6668
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0084 0.3509 0.3509
Brugia malayi Pre-SET motif family protein 0.0121 0.5262 1
Leishmania major potassium channel subunit-like protein 0.0011 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0316 0.0316
Echinococcus granulosus histone acetyltransferase KAT2B 0.0082 0.3396 0.3396
Onchocerca volvulus 0.0138 0.6059 1
Schistosoma mansoni hypothetical protein 0.022 1 1
Leishmania major calcium/potassium channel (CAKC), putative 0.0011 0 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0121 0.5262 0.5262
Echinococcus multilocularis small conductance calcium activated potassium 0.022 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0017 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0017 0.0316 0.0316
Schistosoma mansoni calcium-activated potassium channel 0.022 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0025 0.067 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0025 0.067 0.1106
Leishmania major ion transport protein-like protein 0.0011 0 0.5
Mycobacterium ulcerans ion transport protein 0.0011 0 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0316 0.0316
Trypanosoma brucei calcium-activated potassium channel, putative 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.022 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0023 0.0572 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0017 0.0316 0.0316
Leishmania major hypothetical protein, conserved 0.0011 0 0.5
Schistosoma mansoni calcium-activated potassium channel 0.021 0.9487 0.9487
Onchocerca volvulus 0.0017 0.0316 0.0521
Trypanosoma cruzi ion transport protein, putative 0.0011 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0316 0.0316
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0025 0.067 0.1106
Loa Loa (eye worm) hypothetical protein 0.0099 0.4217 0.4217
Plasmodium falciparum histone acetyltransferase GCN5 0.0023 0.0572 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0011 0 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0017 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.011 0.4758 0.4758
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0011 0 0.5
Mycobacterium ulcerans transmembrane cation transporter 0.0011 0 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0025 0.067 0.067
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0011 0 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0025 0.067 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0011 0 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0316 0.0316
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0084 0.3509 0.3509
Plasmodium vivax SET domain protein, putative 0.0017 0.0316 0.4712
Leishmania major hypothetical protein, conserved 0.0011 0 0.5
Brugia malayi Pre-SET motif family protein 0.0017 0.0316 0.06
Trypanosoma cruzi ion transport protein, putative 0.0011 0 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0023 0.0572 1
Trichomonas vaginalis set domain proteins, putative 0.0138 0.6059 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0025 0.067 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0316 0.0316
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0011 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0011 0 0.5
Loa Loa (eye worm) acetyltransferase 0.0084 0.3509 0.3509
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0017 0.0316 0.4712

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.